#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 -5.12 113.62 113.66 1n3t n SER 2 Ca 0.00 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 1n3t n SER 2 Cb 0.00 -0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.22 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 -1.76 0.00 -4.02 2.46 4.77 -1.26 -4.96 117.00 112.23 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 -0.37 -0.94 -1.33 0.00 0.00 177.39 174.75 1n3t s SER 4 N 1.35 0.40 0.17 -1.43 1.04 -1.26 -5.05 113.70 108.92 1n3t s SER 4 Ca 0.00 -0.62 -0.14 0.00 0.48 0.00 0.00 55.95 55.67 1n3t s SER 4 Cb 0.00 0.11 0.13 0.00 0.10 0.00 0.00 66.02 66.36 1n3t s SER 4 CO 0.00 -0.35 1.74 0.11 0.98 0.00 0.00 173.24 175.72 1n3t h LYS 5 N 4.28 0.29 -0.11 4.02 1.57 -2.02 -1.99 116.57 122.60 1n3t h LYS 5 Ca -0.33 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.41 1n3t h LYS 5 Cb 1.19 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.43 1n3t h LYS 5 CO 0.47 0.19 -0.03 0.93 -0.57 0.00 0.00 179.45 180.44 1n3t h GLU 6 N 0.30 0.22 -0.57 3.15 3.07 -1.99 -2.60 114.58 116.15 1n3t h GLU 6 Ca 0.21 -0.08 0.12 0.00 -0.50 0.00 0.00 59.36 59.11 1n3t h GLU 6 Cb 0.22 -0.01 -0.10 0.00 -0.84 0.00 0.00 28.75 28.02 1n3t h GLU 6 CO -0.23 0.52 -0.08 0.00 -1.40 0.00 0.00 179.01 177.82 1n3t h ALA 7 N 0.69 0.46 0.38 3.43 0.00 -1.88 0.38 119.26 122.71 1n3t h ALA 7 Ca 0.03 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1n3t h ALA 7 Cb 0.44 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1n3t h ALA 7 CO 0.01 -0.42 -0.20 0.00 0.00 0.00 0.00 179.25 178.65 1n3t h ALA 8 N 1.55 -0.53 -0.26 0.00 0.00 -1.34 0.29 119.26 118.96 1n3t h ALA 8 Ca 0.29 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1n3t h ALA 8 Cb 0.45 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.39 1n3t h ALA 8 CO -0.55 -0.80 -0.28 -0.07 0.00 0.00 0.00 179.25 177.55 1n3t h LEU 9 N -0.53 -0.90 -0.11 0.00 3.38 -0.95 0.40 115.31 116.59 1n3t h LEU 9 Ca -0.05 0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1n3t h LEU 9 Cb 0.42 0.42 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1n3t h LEU 9 CO 0.07 -0.31 0.05 0.58 0.09 0.00 0.00 178.44 178.92 1n3t h VAL 10 N -0.28 0.99 -0.65 1.22 2.07 -0.83 0.24 116.25 119.01 1n3t h VAL 10 Ca 0.14 -0.04 0.07 0.00 0.82 0.00 0.00 66.70 67.69 1n3t h VAL 10 Cb 0.50 0.87 -0.06 0.00 -1.52 0.00 0.00 31.29 31.08 1n3t h VAL 10 CO -0.42 0.02 0.33 -0.74 0.02 0.00 0.00 177.57 176.78 1n3t h HIS 11 N 0.11 0.60 -0.20 1.57 -0.00 0.35 -1.52 115.15 116.05 1n3t h HIS 11 Ca 0.05 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.41 1n3t h HIS 11 Cb 0.02 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.25 1n3t h HIS 11 CO -0.09 0.25 0.02 0.93 -0.00 0.00 0.00 177.93 179.03 1n3t h GLU 12 N 0.59 0.35 -0.92 5.26 5.08 0.19 -2.04 114.58 123.11 1n3t h GLU 12 Ca 0.30 -0.10 0.17 0.00 -1.00 0.00 0.00 59.36 58.73 1n3t h GLU 12 Cb 0.26 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.40 1n3t h GLU 12 CO -0.22 0.53 0.59 0.00 -1.00 0.00 0.00 179.01 178.90 1n3t h ALA 13 N 0.81 1.91 0.03 3.43 0.00 0.02 -0.91 119.26 124.54 1n3t h ALA 13 Ca 0.06 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1n3t h ALA 13 Cb 0.36 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.07 1n3t h ALA 13 CO 0.01 -0.19 -0.39 -0.07 0.00 0.00 0.00 179.25 178.61 1n3t h LEU 14 N 0.63 0.29 -0.85 0.00 3.38 -1.17 -3.22 115.31 114.35 1n3t h LEU 14 Ca 0.48 -0.86 0.11 0.00 0.09 0.00 0.00 57.88 57.70 1n3t h LEU 14 Cb 0.88 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.46 1n3t h LEU 14 CO -0.23 1.11 0.49 0.58 0.09 0.00 0.00 178.44 180.48 1n3t h VAL 15 N -0.50 0.87 -0.86 1.22 2.07 -0.61 0.18 116.25 118.62 1n3t h VAL 15 Ca -0.06 -0.27 0.09 0.00 0.82 0.00 0.00 66.70 67.28 1n3t h VAL 15 Cb 1.20 0.02 -0.06 0.00 -1.52 0.00 0.00 31.29 30.93 1n3t h VAL 15 CO 0.08 0.14 0.56 0.00 0.02 0.00 0.00 177.57 178.37 1n3t h ALA 16 N 1.49 1.65 0.00 1.67 0.00 -1.29 0.38 119.26 123.16 1n3t h ALA 16 Ca 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1n3t h ALA 16 Cb 0.44 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1n3t h ALA 16 CO -0.27 0.18 -0.21 -0.09 0.00 0.00 0.00 179.25 178.86 1n3t h ARG 17 N 0.86 0.00 -0.04 0.00 9.65 -0.88 -3.47 114.38 120.51 1n3t h ARG 17 Ca 0.39 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.25 1n3t h ARG 17 Cb 0.38 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.95 1n3t h ARG 17 CO -0.16 0.00 -0.02 0.41 2.80 0.00 0.00 179.97 183.00 1n3t n GLY 18 N 1.27 0.45 0.70 2.80 0.00 0.37 -4.88 105.19 105.91 1n3t n GLY 18 Ca 0.04 -0.16 0.03 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.10 1.94 -4.77 0.99 4.77 -0.96 -4.87 117.00 114.00 1n3t n LEU 19 Ca -0.01 -0.97 -0.40 0.00 -0.03 0.00 0.00 56.01 54.60 1n3t n LEU 19 Cb 0.12 -0.35 -0.06 0.00 -2.33 0.00 0.00 43.42 40.80 1n3t n LEU 19 CO 0.01 0.36 0.53 -1.61 -1.33 0.00 0.00 177.39 175.35 1n3t s GLU 20 N -1.63 4.65 0.11 3.23 0.41 -1.26 -4.80 118.70 119.41 1n3t s GLU 20 Ca 0.18 1.26 -0.34 0.00 -0.41 0.00 0.00 54.97 55.66 1n3t s GLU 20 Cb 0.11 -3.27 -0.13 0.00 -1.78 0.00 0.00 34.13 29.06 1n3t s GLU 20 CO 0.09 0.54 1.66 2.41 -0.49 0.00 0.00 175.26 179.46 1n3t n THR 21 N 1.64 0.14 -1.43 3.63 -1.04 -1.26 -4.74 114.28 111.23 1n3t n THR 21 Ca -0.04 -0.03 -0.44 0.00 -2.04 0.00 0.00 64.05 61.50 1n3t n THR 21 Cb 0.48 -1.66 -0.14 0.00 -1.82 0.00 0.00 70.33 67.19 1n3t n THR 21 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1n3t n PRO 22 N 4.24 0.00 -4.33 -2.82 -0.02 -1.26 -4.93 135.00 125.88 1n3t n PRO 22 Ca 0.18 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.49 1n3t n PRO 22 Cb 0.30 -1.47 -0.10 0.00 -0.02 0.00 0.00 33.50 32.20 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 8.29 2.43 -0.05 2.45 1.02 -1.26 -5.16 118.68 126.40 1n3t s LEU 23 Ca 1.31 -1.11 0.05 0.00 0.02 0.00 0.00 54.13 54.40 1n3t s LEU 23 Cb -1.28 -0.45 -0.02 0.00 0.02 0.00 0.00 46.19 44.46 1n3t s LEU 23 CO 0.51 -0.35 -0.19 -0.60 0.02 0.00 0.00 176.35 175.74 1n3t s ARG 24 N -3.75 2.48 0.05 1.70 3.52 -1.26 -5.09 118.95 116.60 1n3t s ARG 24 Ca 0.24 -0.79 -0.37 0.00 -0.13 0.00 0.00 55.73 54.68 1n3t s ARG 24 Cb 0.03 -2.28 -0.17 0.00 -1.56 0.00 0.00 34.95 30.97 1n3t s ARG 24 CO 0.06 0.54 1.35 -2.30 -0.81 0.00 0.00 175.30 174.14 1n3t n PRO 25 N 2.54 1.07 -0.29 5.12 -0.02 -1.26 -4.82 135.00 137.35 1n3t n PRO 25 Ca -0.17 0.39 0.20 0.00 -2.02 0.00 0.00 63.50 61.90 1n3t n PRO 25 Cb 0.52 -2.02 0.49 0.00 -0.02 0.00 0.00 33.50 32.47 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 4.64 0.43 0.00 0.52 0.11 -2.05 -3.46 132.00 132.19 1n3t h PRO 26 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1n3t h PRO 26 Cb 1.34 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1n3t h PRO 26 CO 0.78 0.28 0.00 0.28 -0.21 0.00 0.00 178.00 179.14 1n3t n VAL 27 N -4.57 0.00 -4.02 3.15 0.31 -1.26 -4.66 118.33 107.27 1n3t n VAL 27 Ca 0.22 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 64.19 1n3t n VAL 27 Cb 0.76 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.62 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 3.46 -1.39 3.52 -3.43 -1.26 -5.03 115.29 111.16 1n3t s HIS 28 Ca 0.00 0.40 -0.15 0.00 -0.80 0.00 0.00 55.06 54.51 1n3t s HIS 28 Cb 0.00 -1.87 0.07 0.00 -1.43 0.00 0.00 32.58 29.35 1n3t s HIS 28 CO 0.00 0.65 2.03 0.39 -2.00 0.00 0.00 174.74 175.80 1n3t n GLU 29 N 1.82 3.05 -1.65 -0.38 1.02 -1.26 -4.98 120.64 118.25 1n3t n GLU 29 Ca -0.18 -2.94 -0.39 0.00 -0.02 0.00 0.00 57.16 53.63 1n3t n GLU 29 Cb 0.54 -3.30 0.03 0.00 -0.02 0.00 0.00 31.44 28.70 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 6.46 1.37 -1.60 3.49 0.00 -1.26 -4.84 117.12 120.74 1n3t n MET 30 Ca 0.49 0.50 -0.46 0.00 -0.00 0.00 0.00 57.70 58.24 1n3t n MET 30 Cb 0.41 -2.25 -0.03 0.00 0.00 0.00 0.00 33.22 31.35 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 -0.27 1.58 0.03 6.12 2.03 -1.26 -4.89 116.55 119.89 1n3t n ASP 31 Ca 0.10 1.16 -0.03 0.00 0.52 0.00 0.00 54.79 56.55 1n3t n ASP 31 Cb 0.43 -1.29 0.22 0.00 -0.72 0.00 0.00 41.12 39.76 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 2.86 0.45 1.52 1.67 -1.24 -2.02 -1.70 115.58 117.12 1n3t h ASN 32 Ca -0.42 -0.15 0.00 0.00 0.71 0.00 0.00 56.30 56.44 1n3t h ASN 32 Cb 1.33 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 40.26 1n3t h ASN 32 CO 0.66 0.69 0.00 -0.33 -1.29 0.00 0.00 177.43 177.17 1n3t h GLU 33 N 0.40 0.00 -0.15 6.67 5.08 -2.01 -3.19 114.58 121.38 1n3t h GLU 33 Ca 0.06 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.22 1n3t h GLU 33 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1n3t h GLU 33 CO 0.05 0.00 -0.71 1.15 -1.00 0.00 0.00 179.01 178.49 1n3t h THR 34 N 0.00 1.31 -0.15 1.13 2.02 -1.67 -3.14 112.91 112.42 1n3t h THR 34 Ca 0.00 -1.97 -0.16 0.00 0.77 0.00 0.00 66.41 65.05 1n3t h THR 34 Cb 0.76 1.95 -0.01 0.00 -1.74 0.00 0.00 68.15 69.11 1n3t h THR 34 CO 0.00 0.62 -0.57 0.03 0.37 0.00 0.00 175.52 175.97 1n3t h ARG 35 N 0.47 0.47 0.00 6.66 3.08 -1.48 -2.95 114.38 120.63 1n3t h ARG 35 Ca -0.03 -0.30 -0.06 0.00 0.07 0.00 0.00 59.98 59.66 1n3t h ARG 35 Cb 1.31 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.39 1n3t h ARG 35 CO 0.14 0.91 -0.27 0.87 -1.07 0.00 0.00 179.97 180.54 1n3t h LYS 36 N 0.35 0.00 0.05 0.04 1.57 -1.60 0.24 116.57 117.22 1n3t h LYS 36 Ca 0.00 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.55 1n3t h LYS 36 Cb 1.10 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.39 1n3t h LYS 36 CO 0.10 0.27 -1.09 0.66 -0.57 0.00 0.00 179.45 178.83 1n3t h SER 37 N 0.00 0.17 0.02 0.86 4.64 -1.49 -2.41 113.55 115.33 1n3t h SER 37 Ca -0.00 -0.18 -0.06 0.00 -0.47 0.00 0.00 61.79 61.08 1n3t h SER 37 Cb 0.52 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.56 1n3t h SER 37 CO 0.04 1.13 -0.23 -0.07 -0.87 0.00 0.00 176.83 176.82 1n3t h LEU 38 N 0.03 0.18 -1.55 5.97 3.38 -1.26 -2.54 115.31 119.52 1n3t h LEU 38 Ca -0.06 -0.85 -0.01 0.00 0.09 0.00 0.00 57.88 57.06 1n3t h LEU 38 Cb 1.83 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.51 1n3t h LEU 38 CO 0.16 1.00 0.22 0.40 0.09 0.00 0.00 178.44 180.31 1n3t h ILE 39 N -0.63 1.12 0.00 1.22 2.04 -0.66 -0.69 117.51 119.91 1n3t h ILE 39 Ca -0.03 -0.29 -0.11 0.00 1.00 0.00 0.00 64.86 65.43 1n3t h ILE 39 Cb 1.05 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 1n3t h ILE 39 CO 0.04 0.13 -0.50 0.00 0.00 0.00 0.00 178.15 177.82 1n3t h ALA 40 N 1.71 1.15 -0.12 1.87 0.00 -1.46 -2.32 119.26 120.09 1n3t h ALA 40 Ca 0.14 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 1n3t h ALA 40 Cb 0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1n3t h ALA 40 CO -0.02 0.63 -0.10 0.78 0.00 0.00 0.00 179.25 180.53 1n3t h GLY 41 N 1.55 0.30 1.73 0.00 0.00 -0.70 -1.35 103.07 104.60 1n3t h GLY 41 Ca -0.01 -0.30 0.01 0.00 0.00 0.00 0.00 47.33 47.04 1n3t h GLY 41 CO 0.07 0.27 0.16 0.45 0.00 0.00 0.00 176.54 177.48 1n3t h HIS 42 N -0.11 0.26 -0.07 5.60 -0.00 -1.22 -0.60 115.15 119.02 1n3t h HIS 42 Ca 0.02 0.01 -0.16 0.00 -0.00 0.00 0.00 60.37 60.24 1n3t h HIS 42 Cb 0.60 -0.09 0.01 0.00 -0.00 0.00 0.00 27.41 27.93 1n3t h HIS 42 CO 0.08 0.16 -0.57 0.52 -0.00 0.00 0.00 177.93 178.12 1n3t h MET 43 N 0.27 0.50 -0.96 2.45 2.86 -1.35 -1.64 114.93 117.05 1n3t h MET 43 Ca 0.09 -0.45 0.23 0.00 -2.06 0.00 0.00 59.70 57.51 1n3t h MET 43 Cb 0.04 0.11 -0.12 0.00 0.06 0.00 0.00 31.60 31.69 1n3t h MET 43 CO -0.02 1.09 0.53 1.15 1.06 0.00 0.00 176.91 180.72 1n3t h THR 44 N 0.07 0.55 0.34 2.22 2.02 -0.03 0.81 112.91 118.88 1n3t h THR 44 Ca -0.05 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 1n3t h THR 44 Cb 1.23 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1n3t h THR 44 CO 0.11 0.10 -0.16 -0.33 0.37 0.00 0.00 175.52 175.61 1n3t h GLU 45 N 0.55 -0.44 -0.84 6.66 4.39 -1.00 -3.05 114.58 120.85 1n3t h GLU 45 Ca 0.60 0.03 0.06 0.00 0.34 0.00 0.00 59.36 60.40 1n3t h GLU 45 Cb 1.11 0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 29.80 1n3t h GLU 45 CO -0.47 -0.12 0.55 0.82 -1.16 0.00 0.00 179.01 178.62 1n3t h ILE 46 N -0.79 1.05 -0.12 3.13 2.04 -0.21 0.26 117.51 122.86 1n3t h ILE 46 Ca -0.05 -0.32 -0.07 0.00 1.00 0.00 0.00 64.86 65.42 1n3t h ILE 46 Cb 0.52 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 1n3t h ILE 46 CO 0.08 0.17 -0.26 0.24 0.00 0.00 0.00 178.15 178.37 1n3t h MET 47 N 0.93 0.21 -0.28 2.37 2.86 -0.96 -2.60 114.93 117.46 1n3t h MET 47 Ca 0.36 -0.07 -0.12 0.00 -2.06 0.00 0.00 59.70 57.81 1n3t h MET 47 Cb 0.22 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 1n3t h MET 47 CO -0.13 0.46 -0.30 1.96 1.06 0.00 0.00 176.91 179.97 1n3t h GLN 48 N 0.19 0.70 0.00 1.72 4.20 -0.89 -2.27 115.11 118.76 1n3t h GLN 48 Ca 0.03 -0.38 0.00 0.00 0.06 0.00 0.00 58.65 58.36 1n3t h GLN 48 Cb 0.57 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.37 1n3t h GLN 48 CO 0.04 0.99 0.00 1.28 -0.67 0.00 0.00 178.83 180.47 1n3t n LEU 49 N -4.26 0.00 -0.22 1.46 4.77 -0.38 -0.53 117.00 117.84 1n3t n LEU 49 Ca -0.04 0.01 0.02 0.00 -0.03 0.00 0.00 56.01 55.97 1n3t n LEU 49 Cb 0.48 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.60 1n3t n LEU 49 CO 0.45 -0.00 0.46 0.18 -1.33 0.00 0.00 177.39 177.14 1n3t n LEU 50 N -1.01 1.96 -1.48 2.23 4.77 -0.89 -4.99 117.00 117.59 1n3t n LEU 50 Ca 0.05 -1.60 -0.13 0.00 -0.03 0.00 0.00 56.01 54.30 1n3t n LEU 50 Cb 0.02 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.05 1n3t n LEU 50 CO 0.04 0.47 -0.17 0.59 -1.33 0.00 0.00 177.39 176.99 1n3t n ASN 51 N 0.04 -4.13 -4.72 -1.43 3.02 0.31 -4.99 115.26 103.36 1n3t n ASN 51 Ca 0.04 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.19 1n3t n ASN 51 Cb 0.23 -3.29 -0.05 0.00 -0.61 0.00 0.00 39.78 36.07 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 -3.75 4.32 -0.96 3.41 1.43 -0.97 -4.98 118.68 117.18 1n3t s LEU 52 Ca 0.00 1.22 -0.24 0.00 -1.03 0.00 0.00 54.13 54.08 1n3t s LEU 52 Cb 0.00 -3.12 -0.01 0.00 0.03 0.00 0.00 46.19 43.09 1n3t s LEU 52 CO 0.00 -0.13 1.75 -0.62 0.23 0.00 0.00 176.35 177.58 1n3t s ASP 53 N 0.81 5.68 0.00 2.29 2.15 -1.26 -4.65 116.67 121.70 1n3t s ASP 53 Ca 0.38 -1.01 0.02 0.00 0.43 0.00 0.00 52.55 52.38 1n3t s ASP 53 Cb -0.18 -2.56 0.13 0.00 -0.30 0.00 0.00 42.92 40.01 1n3t s ASP 53 CO 0.19 -2.25 0.76 0.18 -0.17 0.00 0.00 175.17 173.87 1n3t n LEU 54 N 11.95 0.00 -0.00 -1.34 4.77 -1.26 -1.54 117.00 129.58 1n3t n LEU 54 Ca 0.38 0.14 -0.18 0.00 -0.03 0.00 0.00 56.01 56.32 1n3t n LEU 54 Cb 0.48 -0.14 -0.09 0.00 -2.33 0.00 0.00 43.42 41.34 1n3t n LEU 54 CO 0.63 -0.13 0.25 0.00 -1.33 0.00 0.00 177.39 176.81 1n3t h ALA 55 N 2.13 0.17 -0.89 -1.18 0.00 -1.93 -3.39 119.26 114.17 1n3t h ALA 55 Ca 0.00 -0.58 -0.64 0.00 0.00 0.00 0.00 54.91 53.68 1n3t h ALA 55 Cb 0.01 0.02 0.07 0.00 0.00 0.00 0.00 17.79 17.89 1n3t h ALA 55 CO 0.00 0.49 -0.23 -3.47 0.00 0.00 0.00 179.25 176.04 1n3t n ASP 56 N -4.09 -0.61 0.27 0.00 2.03 -0.59 -4.80 116.55 108.75 1n3t n ASP 56 Ca -0.09 1.02 0.11 0.00 0.52 0.00 0.00 54.79 56.35 1n3t n ASP 56 Cb 0.71 -0.83 0.73 0.00 -0.72 0.00 0.00 41.12 41.01 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 1.69 0.00 0.00 1.67 2.03 -1.90 -2.29 116.42 117.63 1n3t h ASP 57 Ca -0.34 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.96 1n3t h ASP 57 Cb 1.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.77 1n3t h ASP 57 CO 0.54 0.08 0.00 -0.24 -1.03 0.00 0.00 179.24 178.59 1n3t n SER 58 N -3.96 0.00 0.00 4.15 2.88 -1.26 -3.96 113.62 111.47 1n3t n SER 58 Ca -0.02 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 1n3t n SER 58 Cb 0.17 -0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 1n3t n SER 58 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1n3t n LEU 59 N -1.22 0.00 0.05 2.46 4.77 -1.25 -2.14 117.00 119.67 1n3t n LEU 59 Ca 0.00 0.15 -0.13 0.00 -0.03 0.00 0.00 56.01 56.01 1n3t n LEU 59 Cb 0.00 -0.15 -0.08 0.00 -2.33 0.00 0.00 43.42 40.86 1n3t n LEU 59 CO 0.00 -0.15 0.75 -0.03 -1.33 0.00 0.00 177.39 176.62 1n3t h MET 60 N 0.00 -0.08 0.00 3.23 4.05 -1.53 -3.26 114.93 117.34 1n3t h MET 60 Ca 0.00 0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 59.36 1n3t h MET 60 Cb 0.30 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.10 1n3t h MET 60 CO 0.00 0.13 -0.34 0.93 0.23 0.00 0.00 176.91 177.86 1n3t h GLU 61 N -0.29 0.00 -0.78 0.39 4.39 -1.64 -3.39 114.58 113.26 1n3t h GLU 61 Ca -0.01 0.00 0.18 0.00 0.34 0.00 0.00 59.36 59.87 1n3t h GLU 61 Cb 0.25 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 28.76 1n3t h GLU 61 CO 0.01 0.34 -0.12 2.41 -1.16 0.00 0.00 179.01 180.49 1n3t n THR 62 N -3.24 -0.33 -0.31 1.13 -1.04 -1.23 -0.69 114.28 108.57 1n3t n THR 62 Ca 0.02 1.76 0.03 0.00 -2.04 0.00 0.00 64.05 63.83 1n3t n THR 62 Cb 0.62 -2.49 0.22 0.00 -1.82 0.00 0.00 70.33 66.87 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 1.04 -0.22 -2.82 0.11 -1.81 0.04 132.00 128.34 1n3t h PRO 63 Ca 0.41 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 66.34 1n3t h PRO 63 Cb 0.71 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 31.59 1n3t h PRO 63 CO -0.78 0.68 -0.34 1.25 -0.21 0.00 0.00 178.00 178.61 1n3t h HIS 64 N 1.07 0.76 0.29 0.65 -0.00 -1.19 -2.82 115.15 113.91 1n3t h HIS 64 Ca 0.39 -0.26 -0.01 0.00 -0.00 0.00 0.00 60.37 60.50 1n3t h HIS 64 Cb 0.16 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.41 1n3t h HIS 64 CO -0.00 1.00 -0.22 0.00 -0.00 0.00 0.00 177.93 178.71 1n3t h ARG 65 N 0.30 -0.50 -1.00 5.26 3.08 -0.87 0.03 114.38 120.69 1n3t h ARG 65 Ca 0.02 0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.16 1n3t h ARG 65 Cb 0.93 0.11 -0.07 0.00 0.08 0.00 0.00 29.97 31.02 1n3t h ARG 65 CO 0.08 -0.33 0.65 0.82 -1.07 0.00 0.00 179.97 180.12 1n3t h ILE 66 N -0.51 1.10 0.24 2.04 2.04 -1.11 0.36 117.51 121.68 1n3t h ILE 66 Ca -0.02 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 1n3t h ILE 66 Cb 0.45 -0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 1n3t h ILE 66 CO -0.00 0.22 -0.18 0.00 0.00 0.00 0.00 178.15 178.19 1n3t h ALA 67 N 1.45 -0.41 -0.74 1.87 0.00 -1.17 -0.30 119.26 119.96 1n3t h ALA 67 Ca 0.43 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1n3t h ALA 67 Cb 0.14 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1n3t h ALA 67 CO -0.16 -0.74 0.40 -0.22 0.00 0.00 0.00 179.25 178.52 1n3t h LYS 68 N -0.43 1.02 -0.68 0.00 3.11 -0.35 -1.60 116.57 117.64 1n3t h LYS 68 Ca -0.02 -0.11 -0.04 0.00 -2.81 0.00 0.00 60.65 57.67 1n3t h LYS 68 Cb 0.37 -0.20 -0.03 0.00 -1.00 0.00 0.00 32.23 31.37 1n3t h LYS 68 CO -0.00 0.75 0.28 1.98 -2.81 0.00 0.00 179.45 179.64 1n3t h MET 69 N 1.03 1.00 -0.06 1.90 4.05 0.26 -0.32 114.93 122.80 1n3t h MET 69 Ca 0.26 -0.17 -0.21 0.00 -0.28 0.00 0.00 59.70 59.31 1n3t h MET 69 Cb 0.03 -0.17 0.01 0.00 -0.80 0.00 0.00 31.60 30.67 1n3t h MET 69 CO -0.04 0.81 -0.76 1.88 0.23 0.00 0.00 176.91 179.03 1n3t h TYR 70 N 0.98 0.89 0.12 1.39 0.05 -0.44 -2.26 116.97 117.70 1n3t h TYR 70 Ca 0.23 -0.44 -0.18 0.00 0.05 0.00 0.00 58.73 58.39 1n3t h TYR 70 Cb 0.18 -0.12 0.01 0.00 1.01 0.00 0.00 36.73 37.82 1n3t h TYR 70 CO 0.02 1.26 -0.85 0.28 -1.05 0.00 0.00 178.16 177.81 1n3t h VAL 71 N 0.26 1.44 -0.13 -2.88 2.07 -1.23 -3.36 116.25 112.42 1n3t h VAL 71 Ca -0.08 -2.48 0.00 0.00 0.82 0.00 0.00 66.70 64.96 1n3t h VAL 71 Cb 1.42 3.11 0.00 0.00 -1.52 0.00 0.00 31.29 34.30 1n3t h VAL 71 CO 0.15 0.69 0.00 0.47 0.02 0.00 0.00 177.57 178.91 1n3t n ASP 72 N -4.15 2.70 0.00 0.57 8.00 -0.14 -4.61 116.55 118.92 1n3t n ASP 72 Ca -0.16 -1.80 0.00 0.00 0.71 0.00 0.00 54.79 53.54 1n3t n ASP 72 Cb 0.80 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.82 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 1.03 0.00 0.06 -1.24 1.02 -1.13 -4.75 120.64 115.63 1n3t n GLU 73 Ca 0.12 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.28 1n3t n GLU 73 Cb 0.46 0.00 0.12 0.00 -0.02 0.00 0.00 31.44 32.00 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 0.90 -0.17 -3.67 -5.35 -0.86 -1.31 119.36 108.89 1n3t n ILE 74 Ca 0.00 0.59 0.00 0.00 -0.27 0.00 0.00 62.75 63.07 1n3t n ILE 74 Cb 0.00 -1.59 0.00 0.00 -1.74 0.00 0.00 39.64 36.31 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 -1.55 0.00 -0.32 4.28 3.72 -1.23 -3.35 117.46 119.01 1n3t n PHE 75 Ca -0.00 -0.42 0.23 0.00 -0.05 0.00 0.00 57.45 57.21 1n3t n PHE 75 Cb 0.27 -0.04 0.52 0.00 -0.94 0.00 0.00 39.48 39.29 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 0.42 0.00 4.37 4.64 -1.19 -1.14 113.55 120.65 1n3t h SER 76 Ca 0.00 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1n3t h SER 76 Cb 0.59 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1n3t h SER 76 CO 0.00 0.09 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 1n3t n GLY 77 N -1.49 -0.33 0.09 -0.77 0.00 -1.03 -1.74 105.19 99.93 1n3t n GLY 77 Ca 0.25 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.36 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 -0.50 0.68 -4.32 0.99 4.77 -0.43 -4.77 117.00 113.43 1n3t n LEU 78 Ca 0.00 0.27 -0.38 0.00 -0.03 0.00 0.00 56.01 55.87 1n3t n LEU 78 Cb 0.00 -0.01 -0.12 0.00 -2.33 0.00 0.00 43.42 40.96 1n3t n LEU 78 CO 0.00 -0.08 -0.23 -0.62 -1.33 0.00 0.00 177.39 175.12 1n3t s ASP 79 N -5.29 5.39 0.00 -1.43 2.15 -0.71 -4.96 116.67 111.82 1n3t s ASP 79 Ca -0.02 -1.00 0.03 0.00 0.43 0.00 0.00 52.55 51.98 1n3t s ASP 79 Cb 0.10 -1.91 0.18 0.00 -0.30 0.00 0.00 42.92 40.99 1n3t s ASP 79 CO 0.82 -0.31 0.51 -1.22 -0.17 0.00 0.00 175.17 174.79 1n3t n TYR 80 N 4.87 0.00 1.27 -5.34 4.02 -1.26 -1.31 117.16 119.41 1n3t n TYR 80 Ca -0.13 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 57.88 1n3t n TYR 80 Cb 0.46 0.00 0.65 0.00 -0.02 0.00 0.00 39.34 40.43 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 -0.76 2.29 0.06 -0.72 0.00 -1.26 -2.86 120.51 117.26 1n3t n ALA 81 Ca 0.02 -0.13 0.07 0.00 0.00 0.00 0.00 53.44 53.40 1n3t n ALA 81 Cb 0.01 -1.40 -0.10 0.00 0.00 0.00 0.00 19.45 17.96 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 -1.20 1.77 -3.25 0.00 3.02 -0.43 -5.03 115.26 110.13 1n3t n ASN 82 Ca 0.14 -0.08 -0.41 0.00 -0.03 0.00 0.00 54.58 54.20 1n3t n ASN 82 Cb 0.16 1.56 -0.05 0.00 -0.61 0.00 0.00 39.78 40.84 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 -1.90 0.22 -2.17 3.10 7.35 -1.14 -4.81 117.46 118.12 1n3t n PHE 83 Ca -0.02 0.75 -0.41 0.00 -0.76 0.00 0.00 57.45 57.01 1n3t n PHE 83 Cb 0.34 -1.49 -0.02 0.00 0.35 0.00 0.00 39.48 38.65 1n3t n PHE 83 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1n3t s PRO 84 N -0.21 4.39 -0.11 -7.13 0.04 -1.26 -4.94 135.00 125.78 1n3t s PRO 84 Ca 0.60 2.15 -0.29 0.00 0.04 0.00 0.00 61.00 63.50 1n3t s PRO 84 Cb -0.85 -3.10 -0.06 0.00 0.04 0.00 0.00 34.50 30.53 1n3t s PRO 84 CO 0.41 -0.16 1.96 0.15 0.04 0.00 0.00 177.00 179.40 1n3t s LYS 85 N -1.45 3.74 0.09 4.56 1.02 -1.26 -4.95 119.74 121.48 1n3t s LYS 85 Ca 0.50 2.19 -0.17 0.00 0.02 0.00 0.00 55.97 58.51 1n3t s LYS 85 Cb -0.38 -4.19 -0.07 0.00 -0.52 0.00 0.00 37.83 32.66 1n3t s LYS 85 CO 0.49 -1.40 0.54 0.42 -0.92 0.00 0.00 175.35 174.48 1n3t s ILE 86 N 5.85 4.82 -0.09 2.17 1.01 -1.26 -4.99 121.20 128.72 1n3t s ILE 86 Ca 0.88 1.03 -0.04 0.00 0.00 0.00 0.00 60.65 62.52 1n3t s ILE 86 Cb -0.35 -3.82 0.04 0.00 0.01 0.00 0.00 42.46 38.35 1n3t s ILE 86 CO 0.36 0.45 0.19 0.42 0.00 0.00 0.00 174.94 176.36 1n3t s THR 87 N -1.23 -0.07 0.42 2.92 -4.23 -1.26 -5.11 115.64 107.08 1n3t s THR 87 Ca 0.31 0.18 0.06 0.00 -1.18 0.00 0.00 61.69 61.07 1n3t s THR 87 Cb -0.18 -0.31 -0.07 0.00 1.34 0.00 0.00 72.50 73.28 1n3t s THR 87 CO 0.18 0.07 0.01 -0.76 -0.54 0.00 0.00 174.62 173.59 1n3t s LEU 88 N 1.32 2.81 -0.04 4.79 1.43 -1.26 -1.96 118.68 125.76 1n3t s LEU 88 Ca -0.08 -1.40 -0.02 0.00 -1.03 0.00 0.00 54.13 51.60 1n3t s LEU 88 Cb -0.11 -0.87 0.02 0.00 0.03 0.00 0.00 46.19 45.25 1n3t s LEU 88 CO -0.07 -0.49 0.08 -0.63 0.23 0.00 0.00 176.35 175.47 1n3t s ILE 89 N -2.74 -0.03 0.17 -0.59 1.01 -1.05 -4.96 121.20 113.02 1n3t s ILE 89 Ca 0.32 0.09 -0.30 0.00 0.00 0.00 0.00 60.65 60.76 1n3t s ILE 89 Cb 0.09 -0.14 -0.17 0.00 0.01 0.00 0.00 42.46 42.25 1n3t s ILE 89 CO 0.16 0.04 0.69 1.21 0.00 0.00 0.00 174.94 177.04 1n3t n GLU 90 N 3.58 0.19 -1.66 2.79 2.13 -1.26 -2.11 120.64 124.31 1n3t n GLU 90 Ca -0.19 0.07 -0.40 0.00 0.66 0.00 0.00 57.16 57.29 1n3t n GLU 90 Cb 0.55 -1.21 -0.01 0.00 0.27 0.00 0.00 31.44 31.05 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 1.85 6.71 0.13 4.31 5.15 -0.26 -4.63 115.26 128.53 1n3t n ASN 91 Ca 0.17 -2.80 -0.02 0.00 -0.60 0.00 0.00 54.58 51.34 1n3t n ASN 91 Cb 0.23 -1.55 0.15 0.00 -0.53 0.00 0.00 39.78 38.08 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 5.34 0.00 0.00 1.20 1.57 -1.87 -2.54 116.57 120.27 1n3t h LYS 92 Ca 0.70 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.48 1n3t h LYS 92 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1n3t h LYS 92 CO 1.76 0.64 0.00 -1.33 -0.57 0.00 0.00 179.45 179.95 1n3t n MET 93 N -3.78 0.03 -3.59 3.15 2.81 -1.26 -4.89 117.12 109.60 1n3t n MET 93 Ca -0.01 0.18 -0.21 0.00 -1.81 0.00 0.00 57.70 55.85 1n3t n MET 93 Cb 0.64 -1.50 0.05 0.00 -0.71 0.00 0.00 33.22 31.69 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 -1.48 -4.40 -2.01 0.03 4.01 -0.96 -4.86 118.16 108.50 1n3t n LYS 94 Ca 0.05 0.68 -0.43 0.00 -0.51 0.00 0.00 58.31 58.10 1n3t n LYS 94 Cb 0.21 -5.27 -0.03 0.00 -0.51 0.00 0.00 35.03 29.43 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 -3.55 3.54 -0.21 -0.18 1.01 -1.26 -4.85 120.40 114.89 1n3t s VAL 95 Ca 0.12 0.59 0.16 0.00 0.00 0.00 0.00 61.98 62.86 1n3t s VAL 95 Cb -0.03 -3.58 0.46 0.00 0.00 0.00 0.00 36.38 33.23 1n3t s VAL 95 CO 0.79 -0.27 1.35 -0.90 0.00 0.00 0.00 175.10 176.08 1n3t n ASP 96 N 9.01 3.48 -4.54 3.32 5.75 -1.26 -4.33 116.55 127.98 1n3t n ASP 96 Ca 0.21 -2.95 -0.25 0.00 -0.01 0.00 0.00 54.79 51.79 1n3t n ASP 96 Cb 0.45 -0.49 -0.10 0.00 -1.03 0.00 0.00 41.12 39.95 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 -2.69 1.85 0.49 0.11 0.41 -1.26 -4.98 118.70 112.64 1n3t s GLU 97 Ca 0.38 -1.78 -0.21 0.00 -0.41 0.00 0.00 54.97 52.95 1n3t s GLU 97 Cb 0.31 -1.82 -0.08 0.00 -1.78 0.00 0.00 34.13 30.77 1n3t s GLU 97 CO 0.08 0.24 1.08 0.00 -0.49 0.00 0.00 175.26 176.17 1n3t s MET 98 N -3.59 3.69 -0.12 1.61 0.23 -1.26 -4.38 119.30 115.48 1n3t s MET 98 Ca 0.32 1.50 -0.02 0.00 -1.03 0.00 0.00 55.69 56.46 1n3t s MET 98 Cb -0.02 -2.15 -0.03 0.00 -1.53 0.00 0.00 34.83 31.11 1n3t s MET 98 CO 0.17 -0.54 -0.05 0.08 -2.03 0.00 0.00 175.02 172.64 1n3t s VAL 99 N -1.83 3.78 -0.12 5.16 1.01 -0.32 -4.96 120.40 123.13 1n3t s VAL 99 Ca 0.68 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 62.25 1n3t s VAL 99 Cb -0.21 -2.61 0.02 0.00 0.00 0.00 0.00 36.38 33.58 1n3t s VAL 99 CO 0.24 0.54 -0.13 -0.89 0.00 0.00 0.00 175.10 174.86 1n3t s THR 100 N -0.14 1.41 -0.25 3.92 2.01 -1.26 -2.76 115.64 118.56 1n3t s THR 100 Ca 0.02 -0.57 -0.04 0.00 0.31 0.00 0.00 61.69 61.42 1n3t s THR 100 Cb -0.13 -1.32 0.01 0.00 0.01 0.00 0.00 72.50 71.07 1n3t s THR 100 CO 0.03 0.43 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.68 1n3t s VAL 101 N 1.22 3.36 0.31 3.82 1.01 -0.44 -5.01 120.40 124.67 1n3t s VAL 101 Ca -0.02 -0.72 0.09 0.00 0.00 0.00 0.00 61.98 61.33 1n3t s VAL 101 Cb -0.14 -2.64 -0.05 0.00 0.00 0.00 0.00 36.38 33.55 1n3t s VAL 101 CO -0.05 0.26 0.02 0.00 0.00 0.00 0.00 175.10 175.34 1n3t s ARG 102 N 1.43 2.21 -1.40 2.72 1.70 -1.26 -1.43 118.95 122.93 1n3t s ARG 102 Ca 0.03 -1.56 -0.09 0.00 -0.47 0.00 0.00 55.73 53.64 1n3t s ARG 102 Cb -0.16 -2.07 0.04 0.00 -0.57 0.00 0.00 34.95 32.18 1n3t s ARG 102 CO -0.02 0.24 1.02 -0.25 -1.08 0.00 0.00 175.30 175.21 1n3t n ASP 103 N -0.96 -4.58 -4.67 -2.89 8.00 -1.22 -4.95 116.55 105.29 1n3t n ASP 103 Ca -0.05 -0.68 -0.43 0.00 0.71 0.00 0.00 54.79 54.35 1n3t n ASP 103 Cb 0.61 -4.49 -0.02 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 -3.37 4.44 0.02 0.53 1.01 -0.42 -4.83 121.20 118.59 1n3t s ILE 104 Ca 0.47 1.74 -0.33 0.00 0.00 0.00 0.00 60.65 62.53 1n3t s ILE 104 Cb -0.22 -4.12 -0.11 0.00 0.01 0.00 0.00 42.46 38.01 1n3t s ILE 104 CO 0.78 -0.11 1.85 0.41 0.00 0.00 0.00 174.94 177.87 1n3t n THR 105 N 5.12 0.49 -3.95 2.92 -1.04 -1.26 -1.52 114.28 115.03 1n3t n THR 105 Ca 0.12 -0.09 -0.30 0.00 -2.04 0.00 0.00 64.05 61.75 1n3t n THR 105 Cb 0.46 -1.98 -0.16 0.00 -1.82 0.00 0.00 70.33 66.83 1n3t n THR 105 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1n3t s LEU 106 N 3.40 2.09 -0.35 -4.42 0.20 -1.05 -4.77 118.68 113.79 1n3t s LEU 106 Ca 0.88 -0.85 -0.00 0.00 0.69 0.00 0.00 54.13 54.85 1n3t s LEU 106 Cb -0.59 -1.12 0.09 0.00 -0.43 0.00 0.00 46.19 44.14 1n3t s LEU 106 CO 0.44 -0.17 0.08 0.42 -0.29 0.00 0.00 176.35 176.83 1n3t s THR 107 N 1.48 2.82 0.46 3.68 -4.23 -1.26 -2.18 115.64 116.40 1n3t s THR 107 Ca -0.01 -1.92 0.03 0.00 -1.18 0.00 0.00 61.69 58.60 1n3t s THR 107 Cb -0.16 -2.86 -0.02 0.00 1.34 0.00 0.00 72.50 70.79 1n3t s THR 107 CO -0.08 -0.45 0.07 -0.55 -0.54 0.00 0.00 174.62 173.07 1n3t s SER 108 N 1.35 3.43 -0.00 3.99 0.15 -0.97 -4.25 113.70 117.39 1n3t s SER 108 Ca 0.04 -1.66 0.03 0.00 0.70 0.00 0.00 55.95 55.06 1n3t s SER 108 Cb -0.21 0.49 -0.01 0.00 -1.71 0.00 0.00 66.02 64.58 1n3t s SER 108 CO -0.05 -0.88 -0.11 -0.89 1.20 0.00 0.00 173.24 172.51 1n3t s THR 109 N -3.05 0.85 0.18 6.45 2.01 -1.25 0.37 115.64 121.20 1n3t s THR 109 Ca 0.16 -0.52 -0.27 0.00 0.31 0.00 0.00 61.69 61.37 1n3t s THR 109 Cb 0.02 -0.72 -0.08 0.00 0.01 0.00 0.00 72.50 71.73 1n3t s THR 109 CO 0.09 0.20 0.82 0.00 -0.69 0.00 0.00 174.62 175.04 1n3t h GLU 111 N 4.39 0.00 0.00 0.00 4.11 -1.73 0.69 114.58 122.05 1n3t h GLU 111 Ca -0.46 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 58.90 1n3t h GLU 111 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1n3t h GLU 111 CO 0.67 0.23 -0.32 0.45 0.07 0.00 0.00 179.01 180.11 1n3t h HIS 112 N 0.00 0.00 0.00 2.06 3.86 -1.92 -3.35 115.15 115.80 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 0.73 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.20 1n3t h HIS 112 CO 0.00 0.32 0.00 0.72 0.86 0.00 0.00 177.93 179.83 1n3t n HIS 113 N -3.57 0.00 -3.73 2.45 8.25 -1.20 -5.00 115.22 112.41 1n3t n HIS 113 Ca -0.01 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.20 1n3t n HIS 113 Cb 0.45 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.62 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 0.00 -2.38 -4.43 4.41 3.01 0.24 -4.97 117.46 113.34 1n3t n PHE 114 Ca 0.00 0.93 -0.30 0.00 1.01 0.00 0.00 57.45 59.09 1n3t n PHE 114 Cb 0.20 -4.49 -0.12 0.00 -0.01 0.00 0.00 39.48 35.06 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 -3.39 2.77 0.25 -4.37 1.01 -1.20 -4.82 120.40 110.65 1n3t s VAL 115 Ca 0.44 -1.43 -0.27 0.00 0.00 0.00 0.00 61.98 60.72 1n3t s VAL 115 Cb -0.21 -2.23 -0.16 0.00 0.00 0.00 0.00 36.38 33.77 1n3t s VAL 115 CO 0.79 0.17 0.52 0.41 0.00 0.00 0.00 175.10 176.99 1n3t n THR 116 N 1.05 1.81 -3.84 3.92 -1.04 -1.26 -0.33 114.28 114.58 1n3t n THR 116 Ca -0.16 -0.50 -0.27 0.00 -2.04 0.00 0.00 64.05 61.08 1n3t n THR 116 Cb 0.53 -0.13 -0.17 0.00 -1.82 0.00 0.00 70.33 68.73 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 -1.12 0.84 -0.22 12.58 1.01 0.16 -2.83 121.20 131.63 1n3t s ILE 117 Ca 0.63 -0.40 -0.07 0.00 0.00 0.00 0.00 60.65 60.81 1n3t s ILE 117 Cb -0.85 -1.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.54 1n3t s ILE 117 CO 0.57 0.14 0.05 -0.62 0.00 0.00 0.00 174.94 175.09 1n3t s ASP 118 N 1.75 5.22 0.17 3.58 2.15 -0.10 -2.29 116.67 127.16 1n3t s ASP 118 Ca 0.02 -0.12 -0.04 0.00 0.43 0.00 0.00 52.55 52.84 1n3t s ASP 118 Cb -0.14 -1.92 0.02 0.00 -0.30 0.00 0.00 42.92 40.58 1n3t s ASP 118 CO -0.07 0.05 0.29 0.61 -0.17 0.00 0.00 175.17 175.88 1n3t n GLY 119 N 4.39 2.11 2.97 2.66 0.00 -0.93 0.82 105.19 117.21 1n3t n GLY 119 Ca -0.16 -1.31 -0.13 0.00 0.00 0.00 0.00 46.02 44.41 1n3t n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n3t s LYS 120 N -2.21 0.13 -0.06 1.61 3.01 -0.23 -2.53 119.74 119.46 1n3t s LYS 120 Ca 0.11 0.35 0.03 0.00 -1.01 0.00 0.00 55.97 55.45 1n3t s LYS 120 Cb -0.01 -0.10 -0.02 0.00 -1.01 0.00 0.00 37.83 36.68 1n3t s LYS 120 CO 0.08 -0.13 -0.15 0.00 0.51 0.00 0.00 175.35 175.66 1n3t s ALA 121 N 0.90 2.62 -0.14 5.17 0.00 -0.58 -1.05 121.76 128.69 1n3t s ALA 121 Ca -0.07 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 50.92 1n3t s ALA 121 Cb -0.09 -0.96 -0.00 0.00 0.00 0.00 0.00 23.12 22.07 1n3t s ALA 121 CO -0.05 0.52 -0.17 0.99 0.00 0.00 0.00 175.76 177.05 1n3t s THR 122 N -0.59 2.55 0.03 0.00 2.01 0.11 -1.30 115.64 118.45 1n3t s THR 122 Ca 0.09 -0.82 0.05 0.00 0.31 0.00 0.00 61.69 61.32 1n3t s THR 122 Cb -0.11 -2.05 -0.02 0.00 0.01 0.00 0.00 72.50 70.32 1n3t s THR 122 CO 0.01 0.53 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.62 1n3t s VAL 123 N 0.67 1.22 0.09 3.82 1.01 -0.51 -1.16 120.40 125.54 1n3t s VAL 123 Ca -0.08 -0.93 -0.09 0.00 0.00 0.00 0.00 61.98 60.88 1n3t s VAL 123 Cb -0.16 -1.08 -0.00 0.00 0.00 0.00 0.00 36.38 35.14 1n3t s VAL 123 CO 0.02 0.13 0.19 0.00 0.00 0.00 0.00 175.10 175.44 1n3t s ALA 124 N -0.70 -0.23 0.05 5.51 0.00 -0.59 -1.33 121.76 124.47 1n3t s ALA 124 Ca 0.04 -0.60 -0.27 0.00 0.00 0.00 0.00 51.96 51.13 1n3t s ALA 124 Cb -0.07 0.48 0.09 0.00 0.00 0.00 0.00 23.12 23.61 1n3t s ALA 124 CO 0.01 -0.50 0.75 1.52 0.00 0.00 0.00 175.76 177.53 1n3t s TYR 125 N -3.79 -0.47 -0.31 0.00 1.13 -1.11 -0.80 117.35 112.00 1n3t s TYR 125 Ca 0.04 0.38 -0.07 0.00 -1.41 0.00 0.00 57.07 56.02 1n3t s TYR 125 Cb 0.05 0.53 0.01 0.00 -1.10 0.00 0.00 41.96 41.45 1n3t s TYR 125 CO -0.11 -0.67 0.10 0.42 -2.51 0.00 0.00 175.55 172.77 1n3t s ILE 126 N -3.08 4.01 0.16 -3.49 1.01 -0.81 -1.17 121.20 117.83 1n3t s ILE 126 Ca 0.01 -0.75 -0.34 0.00 0.00 0.00 0.00 60.65 59.57 1n3t s ILE 126 Cb -0.01 -3.11 -0.15 0.00 0.01 0.00 0.00 42.46 39.21 1n3t s ILE 126 CO -0.08 0.02 1.41 -2.65 0.00 0.00 0.00 174.94 173.64 1n3t n PRO 127 N 4.87 1.71 0.00 2.79 -0.02 -1.26 -4.86 135.00 138.23 1n3t n PRO 127 Ca -0.14 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1n3t n PRO 127 Cb 0.47 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 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 2.61 0.00 -0.01 -0.52 4.81 -1.26 -4.77 118.16 119.02 1n3t n LYS 128 Ca 0.16 0.00 0.10 0.00 -0.87 0.00 0.00 58.31 57.70 1n3t n LYS 128 Cb 0.26 0.00 -0.15 0.00 0.02 0.00 0.00 35.03 35.16 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 -0.06 0.43 -4.07 3.14 8.00 -1.26 -4.83 116.55 117.90 1n3t n ASP 129 Ca 0.00 -0.36 -0.10 0.00 0.71 0.00 0.00 54.79 55.04 1n3t n ASP 129 Cb 0.00 1.62 -0.11 0.00 -0.02 0.00 0.00 41.12 42.62 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 -3.91 0.65 -0.27 -2.24 1.04 -1.26 -1.10 113.70 106.61 1n3t s SER 130 Ca -0.02 -0.75 -0.01 0.00 0.48 0.00 0.00 55.95 55.65 1n3t s SER 130 Cb 0.14 0.11 0.04 0.00 0.10 0.00 0.00 66.02 66.42 1n3t s SER 130 CO 0.87 -0.39 -0.05 -0.69 0.98 0.00 0.00 173.24 173.96 1n3t s VAL 131 N -2.56 2.73 0.48 5.02 1.01 -0.89 -4.75 120.40 121.44 1n3t s VAL 131 Ca -0.02 -1.31 -0.22 0.00 0.00 0.00 0.00 61.98 60.42 1n3t s VAL 131 Cb -0.02 -2.51 -0.07 0.00 0.00 0.00 0.00 36.38 33.78 1n3t s VAL 131 CO -0.04 0.03 1.16 -0.63 0.00 0.00 0.00 175.10 175.63 1n3t s ILE 132 N 1.24 3.09 0.24 2.22 1.01 -1.26 -2.53 121.20 125.22 1n3t s ILE 132 Ca -0.04 0.79 -0.30 0.00 0.00 0.00 0.00 60.65 61.10 1n3t s ILE 132 Cb -0.19 -3.39 -0.11 0.00 0.01 0.00 0.00 42.46 38.79 1n3t s ILE 132 CO -0.03 -0.03 1.54 -0.83 0.00 0.00 0.00 174.94 175.58 1n3t s GLY 133 N -1.42 2.02 0.18 6.18 0.00 -0.83 -4.90 107.32 108.55 1n3t s GLY 133 Ca 0.65 1.44 -0.16 0.00 0.00 0.00 0.00 44.72 46.65 1n3t s GLY 133 CO 0.34 2.48 1.66 1.41 0.00 0.00 0.00 173.10 178.99 1n3t h LEU 134 N 5.44 -0.41 -2.32 0.66 3.38 -1.92 -1.05 115.31 119.09 1n3t h LEU 134 Ca -0.45 0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.68 1n3t h LEU 134 Cb 1.21 0.28 -0.00 0.00 0.09 0.00 0.00 40.66 42.24 1n3t h LEU 134 CO 0.82 -0.15 0.12 0.77 0.09 0.00 0.00 178.44 180.10 1n3t h SER 135 N 0.01 0.00 -0.81 -0.43 4.64 -2.00 -1.33 113.55 113.63 1n3t h SER 135 Ca 0.23 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.56 1n3t h SER 135 Cb 0.35 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.39 1n3t h SER 135 CO -0.47 0.00 0.54 0.11 -0.87 0.00 0.00 176.83 176.13 1n3t h LYS 136 N 0.00 1.04 -0.45 4.77 1.79 -1.55 0.06 116.57 122.22 1n3t h LYS 136 Ca 0.05 -0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 58.42 1n3t h LYS 136 Cb 0.29 -0.23 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 1n3t h LYS 136 CO -0.00 0.69 0.12 0.82 -1.08 0.00 0.00 179.45 179.99 1n3t h ILE 137 N 1.07 1.20 0.59 1.86 2.04 -1.33 -1.29 117.51 121.65 1n3t h ILE 137 Ca 0.30 -0.69 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 1n3t h ILE 137 Cb -0.08 0.73 0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1n3t h ILE 137 CO -0.07 0.26 -0.28 0.78 0.00 0.00 0.00 178.15 178.83 1n3t h ASN 138 N 0.66 -0.67 -0.83 1.72 2.35 -1.28 -2.87 115.58 114.65 1n3t h ASN 138 Ca 0.15 -0.01 0.17 0.00 -0.55 0.00 0.00 56.30 56.06 1n3t h ASN 138 Cb 0.24 0.17 -0.06 0.00 0.05 0.00 0.00 38.32 38.72 1n3t h ASN 138 CO -0.00 -0.29 0.55 0.03 -1.65 0.00 0.00 177.43 176.07 1n3t h ARG 139 N -1.16 0.44 -0.17 0.81 3.08 -0.89 -1.94 114.38 114.55 1n3t h ARG 139 Ca -0.08 -0.03 -0.21 0.00 0.07 0.00 0.00 59.98 59.74 1n3t h ARG 139 Cb 0.64 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1n3t h ARG 139 CO 0.13 0.29 -0.71 0.82 -1.07 0.00 0.00 179.97 179.43 1n3t h ILE 140 N 0.45 1.29 -0.73 2.04 2.04 -1.28 -1.59 117.51 119.73 1n3t h ILE 140 Ca 0.42 -1.94 -0.06 0.00 1.00 0.00 0.00 64.86 64.28 1n3t h ILE 140 Cb 0.96 1.91 -0.03 0.00 -0.74 0.00 0.00 36.82 38.93 1n3t h ILE 140 CO -0.15 0.61 0.21 0.58 0.00 0.00 0.00 178.15 179.39 1n3t h VAL 141 N 0.52 1.26 -0.25 1.67 2.07 -1.14 -2.56 116.25 117.83 1n3t h VAL 141 Ca -0.03 -0.94 -0.14 0.00 0.82 0.00 0.00 66.70 66.41 1n3t h VAL 141 Cb 1.32 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1n3t h VAL 141 CO 0.14 0.37 -0.44 1.56 0.02 0.00 0.00 177.57 179.22 1n3t h GLN 142 N 1.10 0.61 0.09 1.57 1.08 -1.37 -2.65 115.11 115.53 1n3t h GLN 142 Ca 0.23 -0.33 0.02 0.00 -1.45 0.00 0.00 58.65 57.12 1n3t h GLN 142 Cb 0.34 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.73 1n3t h GLN 142 CO -0.00 0.93 -0.47 0.35 -0.95 0.00 0.00 178.83 178.68 1n3t h PHE 143 N 0.49 -1.36 0.00 2.96 3.57 -0.88 -1.09 116.94 120.64 1n3t h PHE 143 Ca 0.04 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1n3t h PHE 143 Cb 0.96 0.58 0.00 0.00 2.79 0.00 0.00 35.95 40.28 1n3t h PHE 143 CO 0.04 -0.56 0.00 0.74 -2.23 0.00 0.00 178.31 176.31 1n3t h PHE 144 N -0.69 0.00 -0.02 0.41 0.04 -1.58 -3.03 116.94 112.07 1n3t h PHE 144 Ca 0.02 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.54 1n3t h PHE 144 Cb 0.72 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.88 1n3t h PHE 144 CO -0.42 0.00 -0.96 0.00 -0.60 0.00 0.00 178.31 176.33 1n3t h ALA 145 N 2.21 0.26 0.00 2.45 0.00 -0.94 -3.34 119.26 119.90 1n3t h ALA 145 Ca 0.00 -0.69 -0.09 0.00 0.00 0.00 0.00 54.91 54.13 1n3t h ALA 145 Cb 0.51 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1n3t h ALA 145 CO 0.00 0.74 0.16 1.04 0.00 0.00 0.00 179.25 181.19 1n3t n GLN 146 N -3.82 0.93 -4.00 0.00 1.13 -0.50 -4.25 117.38 106.87 1n3t n GLN 146 Ca -0.09 -0.48 -0.10 0.00 -1.94 0.00 0.00 57.00 54.40 1n3t n GLN 146 Cb 0.84 -1.75 -0.08 0.00 0.11 0.00 0.00 30.24 29.37 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 2.13 1.14 -0.56 -1.09 0.52 -1.21 -2.46 118.95 117.42 1n3t s ARG 147 Ca 0.31 -1.24 -0.27 0.00 -0.52 0.00 0.00 55.73 54.00 1n3t s ARG 147 Cb 0.14 0.35 -0.00 0.00 0.52 0.00 0.00 34.95 35.96 1n3t s ARG 147 CO -0.00 -0.41 1.64 -2.14 0.02 0.00 0.00 175.30 174.42 1n3t s PRO 148 N -3.99 3.02 0.51 3.54 0.02 -1.26 -3.83 135.00 133.01 1n3t s PRO 148 Ca 0.20 0.61 0.06 0.00 0.02 0.00 0.00 61.00 61.89 1n3t s PRO 148 Cb 0.04 -4.25 0.02 0.00 0.02 0.00 0.00 34.50 30.33 1n3t s PRO 148 CO 0.01 -2.27 0.41 -0.65 -0.33 0.00 0.00 177.00 174.18 1n3t s GLN 149 N 6.18 2.32 -0.17 5.54 -1.52 -0.22 -4.58 119.66 127.20 1n3t s GLN 149 Ca 0.61 -1.87 -0.05 0.00 -1.95 0.00 0.00 55.36 52.10 1n3t s GLN 149 Cb -0.13 -2.19 0.06 0.00 -0.22 0.00 0.00 33.01 30.52 1n3t s GLN 149 CO 0.24 -0.51 0.08 0.08 -0.25 0.00 0.00 175.29 174.93 1n3t s VAL 150 N -2.69 -0.00 0.33 1.09 1.01 -1.26 -2.44 120.40 116.44 1n3t s VAL 150 Ca 0.40 -0.20 0.10 0.00 0.00 0.00 0.00 61.98 62.28 1n3t s VAL 150 Cb -0.02 -0.63 0.35 0.00 0.00 0.00 0.00 36.38 36.08 1n3t s VAL 150 CO 0.24 -0.26 1.62 -0.61 0.00 0.00 0.00 175.10 176.09 1n3t h GLN 151 N 8.39 0.13 -0.92 2.72 4.15 -1.98 1.03 115.11 128.64 1n3t h GLN 151 Ca -0.15 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.29 1n3t h GLN 151 Cb 1.14 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.76 1n3t h GLN 151 CO 0.29 0.09 0.61 0.93 -1.93 0.00 0.00 178.83 178.82 1n3t h GLU 152 N 0.14 1.16 0.01 1.69 3.07 -1.98 -2.58 114.58 116.09 1n3t h GLU 152 Ca 0.69 -0.07 -0.03 0.00 -0.50 0.00 0.00 59.36 59.45 1n3t h GLU 152 Cb 1.59 -0.26 0.00 0.00 -0.84 0.00 0.00 28.75 29.24 1n3t h GLU 152 CO -0.73 0.77 -0.12 -0.09 -1.40 0.00 0.00 179.01 177.44 1n3t h ARG 153 N 1.20 0.05 -1.10 2.33 2.43 0.54 -3.22 114.38 116.62 1n3t h ARG 153 Ca 0.36 -0.08 0.31 0.00 -0.81 0.00 0.00 59.98 59.76 1n3t h ARG 153 Cb -0.05 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.47 1n3t h ARG 153 CO -0.10 0.96 0.78 1.25 -1.51 0.00 0.00 179.97 181.35 1n3t h LEU 154 N -0.81 0.07 -0.47 3.80 5.85 -0.74 0.36 115.31 123.37 1n3t h LEU 154 Ca -0.02 0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.54 1n3t h LEU 154 Cb 1.01 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 1n3t h LEU 154 CO 0.02 0.01 -0.70 0.74 -0.34 0.00 0.00 178.44 178.18 1n3t h THR 155 N 0.06 1.39 0.00 1.05 2.02 -1.51 -3.02 112.91 112.90 1n3t h THR 155 Ca 0.54 -2.12 -0.14 0.00 0.77 0.00 0.00 66.41 65.45 1n3t h THR 155 Cb 2.02 2.09 -0.02 0.00 -1.74 0.00 0.00 68.15 70.50 1n3t h THR 155 CO -0.05 0.63 -0.68 1.56 0.37 0.00 0.00 175.52 177.36 1n3t h GLN 156 N 0.24 0.00 0.36 6.66 1.08 -0.32 -3.05 115.11 120.08 1n3t h GLN 156 Ca -0.02 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 1n3t h GLN 156 Cb 1.26 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.69 1n3t h GLN 156 CO 0.12 0.68 -0.17 1.96 -0.95 0.00 0.00 178.83 180.46 1n3t h GLN 157 N 0.00 -0.46 -1.17 1.46 4.20 -1.37 -2.68 115.11 115.09 1n3t h GLN 157 Ca -0.01 0.03 0.37 0.00 0.06 0.00 0.00 58.65 59.10 1n3t h GLN 157 Cb 1.39 0.11 -0.12 0.00 0.30 0.00 0.00 27.48 29.15 1n3t h GLN 157 CO 0.09 -0.31 0.74 0.82 -0.67 0.00 0.00 178.83 179.50 1n3t h ILE 158 N -1.09 0.26 0.24 2.54 2.04 -1.63 0.40 117.51 120.27 1n3t h ILE 158 Ca -0.05 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 1n3t h ILE 158 Cb 0.37 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 1n3t h ILE 158 CO 0.08 0.04 -0.11 0.25 0.00 0.00 0.00 178.15 178.41 1n3t h LEU 159 N 0.21 -0.27 -0.92 1.44 5.85 -1.48 -1.65 115.31 118.49 1n3t h LEU 159 Ca 0.74 0.01 0.16 0.00 0.84 0.00 0.00 57.88 59.63 1n3t h LEU 159 Cb 2.10 0.07 -0.10 0.00 0.37 0.00 0.00 40.66 43.10 1n3t h LEU 159 CO -0.43 -0.18 0.52 0.40 -0.34 0.00 0.00 178.44 178.40 1n3t h ILE 160 N -0.34 0.74 -0.34 4.05 2.04 -0.79 0.45 117.51 123.32 1n3t h ILE 160 Ca -0.03 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.60 1n3t h ILE 160 Cb 0.24 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.27 1n3t h ILE 160 CO 0.05 0.13 0.20 0.00 0.00 0.00 0.00 178.15 178.53 1n3t h ALA 161 N 1.59 0.43 -0.35 1.87 0.00 -0.27 -0.56 119.26 121.97 1n3t h ALA 161 Ca 0.51 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.33 1n3t h ALA 161 Cb 0.73 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1n3t h ALA 161 CO -0.36 -0.15 -0.10 -0.07 0.00 0.00 0.00 179.25 178.57 1n3t h LEU 162 N 0.41 0.69 -0.91 0.00 3.38 -0.17 -1.99 115.31 116.72 1n3t h LEU 162 Ca 0.13 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.76 1n3t h LEU 162 Cb -0.01 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 1n3t h LEU 162 CO -0.06 0.91 0.59 1.56 0.09 0.00 0.00 178.44 181.53 1n3t h GLN 163 N 0.47 1.12 0.81 1.13 4.20 -0.81 0.12 115.11 122.15 1n3t h GLN 163 Ca 0.09 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 1n3t h GLN 163 Cb 0.61 -0.25 0.01 0.00 0.30 0.00 0.00 27.48 28.15 1n3t h GLN 163 CO 0.04 0.74 -0.39 1.15 -0.67 0.00 0.00 178.83 179.70 1n3t h THR 164 N 1.15 0.00 -0.81 -0.54 2.02 -0.95 0.11 112.91 113.89 1n3t h THR 164 Ca 0.36 -0.03 0.03 0.00 0.77 0.00 0.00 66.41 67.54 1n3t h THR 164 Cb -0.01 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.36 1n3t h THR 164 CO -0.11 0.00 0.53 -0.07 0.37 0.00 0.00 175.52 176.24 1n3t h LEU 165 N -1.12 0.87 -0.02 2.58 3.38 -1.21 -3.05 115.31 116.74 1n3t h LEU 165 Ca -0.11 -0.01 -0.23 0.00 0.09 0.00 0.00 57.88 57.62 1n3t h LEU 165 Cb 0.84 -0.20 0.02 0.00 0.09 0.00 0.00 40.66 41.40 1n3t h LEU 165 CO 0.18 0.60 -0.89 -0.07 0.09 0.00 0.00 178.44 178.35 1n3t h LEU 166 N 1.01 0.81 0.00 1.67 3.38 -0.74 -3.48 115.31 117.96 1n3t h LEU 166 Ca 0.32 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1n3t h LEU 166 Cb 0.01 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.52 1n3t h LEU 166 CO -0.09 1.44 0.00 0.61 0.09 0.00 0.00 178.44 180.49 1n3t n GLY 167 N 1.04 1.14 3.18 0.83 0.00 0.37 -4.69 105.19 107.06 1n3t n GLY 167 Ca -0.10 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.00 0.14 -0.35 2.61 2.01 -1.20 -4.89 115.64 111.96 1n3t s THR 168 Ca 0.00 -1.59 0.17 0.00 0.31 0.00 0.00 61.69 60.58 1n3t s THR 168 Cb 0.00 -1.68 -0.24 0.00 0.01 0.00 0.00 72.50 70.59 1n3t s THR 168 CO 0.00 -0.63 0.53 0.59 -0.69 0.00 0.00 174.62 174.42 1n3t n ASN 169 N -0.05 0.91 -3.66 3.53 3.02 -1.26 -4.41 115.26 113.34 1n3t n ASN 169 Ca -0.11 -0.38 -0.43 0.00 -0.03 0.00 0.00 54.58 53.64 1n3t n ASN 169 Cb 0.62 1.46 -0.07 0.00 -0.61 0.00 0.00 39.78 41.19 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 -1.81 2.26 -4.12 6.41 3.02 -1.26 -2.68 115.26 117.09 1n3t n ASN 170 Ca -0.01 -2.65 -0.15 0.00 -0.03 0.00 0.00 54.58 51.74 1n3t n ASN 170 Cb 0.38 -1.04 -0.12 0.00 -0.61 0.00 0.00 39.78 38.39 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 5.78 0.83 -0.10 2.41 1.01 -1.24 -1.92 120.40 127.17 1n3t s VAL 171 Ca 0.60 -1.23 -0.05 0.00 0.00 0.00 0.00 61.98 61.30 1n3t s VAL 171 Cb 0.14 -0.88 0.05 0.00 0.00 0.00 0.00 36.38 35.68 1n3t s VAL 171 CO 0.16 -0.33 0.22 0.00 0.00 0.00 0.00 175.10 175.15 1n3t s ALA 172 N -1.44 -0.47 -0.04 5.51 0.00 0.02 -1.19 121.76 124.15 1n3t s ALA 172 Ca -0.05 0.89 0.05 0.00 0.00 0.00 0.00 51.96 52.85 1n3t s ALA 172 Cb -0.09 -0.68 -0.01 0.00 0.00 0.00 0.00 23.12 22.34 1n3t s ALA 172 CO 0.01 -0.29 -0.19 0.08 0.00 0.00 0.00 175.76 175.36 1n3t s VAL 173 N 1.52 1.60 -0.04 0.00 1.01 -0.33 -1.54 120.40 122.63 1n3t s VAL 173 Ca -0.07 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.09 1n3t s VAL 173 Cb -0.11 -1.36 0.03 0.00 0.00 0.00 0.00 36.38 34.93 1n3t s VAL 173 CO -0.08 0.46 0.02 -0.55 0.00 0.00 0.00 175.10 174.95 1n3t s SER 174 N -0.09 0.73 -0.13 3.32 0.15 -0.31 0.34 113.70 117.72 1n3t s SER 174 Ca -0.02 0.01 0.01 0.00 0.70 0.00 0.00 55.95 56.65 1n3t s SER 174 Cb -0.11 -0.20 -0.01 0.00 -1.71 0.00 0.00 66.02 63.99 1n3t s SER 174 CO 0.02 -0.16 -0.17 -0.63 1.20 0.00 0.00 173.24 173.50 1n3t s ILE 175 N 1.49 2.66 -0.32 6.45 1.01 -0.25 -0.71 121.20 131.54 1n3t s ILE 175 Ca -0.03 -0.79 -0.05 0.00 0.00 0.00 0.00 60.65 59.78 1n3t s ILE 175 Cb -0.13 -2.10 0.04 0.00 0.01 0.00 0.00 42.46 40.28 1n3t s ILE 175 CO -0.03 0.53 0.06 -0.62 0.00 0.00 0.00 174.94 174.88 1n3t s ASP 176 N 0.52 5.11 0.14 3.58 2.15 -0.21 -1.91 116.67 126.05 1n3t s ASP 176 Ca -0.11 -1.13 0.02 0.00 0.43 0.00 0.00 52.55 51.76 1n3t s ASP 176 Cb -0.16 -1.81 -0.04 0.00 -0.30 0.00 0.00 42.92 40.61 1n3t s ASP 176 CO 0.04 -0.28 -0.03 0.00 -0.17 0.00 0.00 175.17 174.73 1n3t s ALA 177 N 1.36 1.21 -0.09 3.66 0.00 0.88 -1.06 121.76 127.72 1n3t s ALA 177 Ca -0.02 -1.49 0.04 0.00 0.00 0.00 0.00 51.96 50.49 1n3t s ALA 177 Cb -0.19 0.37 -0.00 0.00 0.00 0.00 0.00 23.12 23.30 1n3t s ALA 177 CO 0.01 -0.27 -0.24 0.08 0.00 0.00 0.00 175.76 175.34 1n3t s VAL 178 N -3.63 2.02 -0.30 0.00 1.01 0.24 0.45 120.40 120.21 1n3t s VAL 178 Ca 0.19 -1.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.07 1n3t s VAL 178 Cb 0.06 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 1n3t s VAL 178 CO 0.00 0.55 0.13 -1.00 0.00 0.00 0.00 175.10 174.79 1n3t s HIS 179 N 0.24 3.16 -0.60 5.22 3.76 -1.26 -0.92 115.29 124.89 1n3t s HIS 179 Ca -0.15 -0.52 0.23 0.00 -0.15 0.00 0.00 55.06 54.46 1n3t s HIS 179 Cb -0.17 -2.33 0.92 0.00 1.11 0.00 0.00 32.58 32.11 1n3t s HIS 179 CO 0.08 -0.42 1.69 0.66 -0.85 0.00 0.00 174.74 175.89 1n3t n TYR 180 N 4.97 0.69 1.91 1.40 4.02 -1.13 -0.72 117.16 128.31 1n3t n TYR 180 Ca -0.14 0.26 0.14 0.00 -0.01 0.00 0.00 57.90 58.15 1n3t n TYR 180 Cb 0.50 -0.92 0.86 0.00 -0.02 0.00 0.00 39.34 39.75 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 -2.12 0.00 -0.01 7.72 3.41 -1.26 -1.37 113.62 119.99 1n3t n SER 181 Ca 0.03 -1.01 -0.01 0.00 -0.26 0.00 0.00 58.87 57.62 1n3t n SER 181 Cb 0.25 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.18 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 -0.97 0.15 -0.10 -3.33 0.31 0.10 -4.55 118.33 109.93 1n3t n VAL 182 Ca 0.22 -0.10 -0.23 0.00 -0.01 0.00 0.00 64.34 64.21 1n3t n VAL 182 Cb 0.10 -0.76 -0.11 0.00 -0.91 0.00 0.00 33.84 32.16 1n3t n VAL 182 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1n3t n LYS 183 N -2.03 0.58 -1.25 5.55 4.81 -0.01 -1.23 118.16 124.58 1n3t n LYS 183 Ca -0.04 0.50 -0.20 0.00 -0.87 0.00 0.00 58.31 57.71 1n3t n LYS 183 Cb 0.52 -1.70 0.13 0.00 0.02 0.00 0.00 35.03 34.00 1n3t n LYS 183 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1n3t n ALA 184 N -3.53 5.25 -3.63 3.14 0.00 -0.47 -3.41 120.51 117.87 1n3t n ALA 184 Ca -0.36 -3.30 -0.03 0.00 0.00 0.00 0.00 53.44 49.75 1n3t n ALA 184 Cb 0.74 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 19.08 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 -3.48 0.13 4.51 0.00 3.52 -1.25 -4.99 118.95 117.40 1n3t s ARG 185 Ca 0.54 -0.00 0.00 0.00 -0.13 0.00 0.00 55.73 56.13 1n3t s ARG 185 Cb 0.45 0.06 0.00 0.00 -1.56 0.00 0.00 34.95 33.90 1n3t s ARG 185 CO 0.03 -0.05 0.00 0.41 -0.81 0.00 0.00 175.30 174.88 1n3t n GLY 186 N 0.30 1.29 0.57 8.12 0.00 -1.26 -2.69 105.19 111.52 1n3t n GLY 186 Ca 0.01 -0.69 0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 0.13 -5.80 -0.61 2.04 -1.88 -3.45 117.51 107.93 1n3t h ILE 187 Ca 0.00 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.70 1n3t h ILE 187 Cb 0.00 0.17 0.01 0.00 -0.74 0.00 0.00 36.82 36.25 1n3t h ILE 187 CO 0.00 0.00 -0.78 0.54 0.00 0.00 0.00 178.15 177.91 1n3t n ARG 188 N -3.70 -2.19 -3.71 2.37 1.74 -1.10 -4.96 116.66 105.12 1n3t n ARG 188 Ca 0.28 1.83 -0.38 0.00 -0.77 0.00 0.00 57.85 58.81 1n3t n ARG 188 Cb 1.52 -4.21 -0.12 0.00 -1.02 0.00 0.00 32.46 28.63 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 -2.17 5.32 0.00 0.55 -1.08 -0.36 -4.96 116.67 113.97 1n3t s ASP 189 Ca 0.30 -0.64 0.20 0.00 -0.52 0.00 0.00 52.55 51.89 1n3t s ASP 189 Cb -0.06 -1.93 0.80 0.00 -1.46 0.00 0.00 42.92 40.26 1n3t s ASP 189 CO 0.81 -0.20 1.56 0.00 0.52 0.00 0.00 175.17 177.87 1n3t n ALA 190 N 4.92 2.54 0.00 3.66 0.00 -1.26 -4.09 120.51 126.27 1n3t n ALA 190 Ca -0.14 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1n3t n ALA 190 Cb 0.48 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.81 1n3t n ALA 190 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1n3t n THR 191 N 0.08 0.00 -1.55 0.00 -2.24 -1.26 -5.09 114.28 104.22 1n3t n THR 191 Ca 0.15 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.62 1n3t n THR 191 Cb 0.27 -0.38 0.06 0.00 -2.10 0.00 0.00 70.33 68.18 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 -1.80 5.02 0.07 3.42 1.04 -1.26 -5.07 113.70 115.13 1n3t s SER 192 Ca 0.00 1.81 -0.14 0.00 0.48 0.00 0.00 55.95 58.10 1n3t s SER 192 Cb 0.00 -2.52 0.02 0.00 0.10 0.00 0.00 66.02 63.62 1n3t s SER 192 CO 0.00 -1.68 0.32 0.00 0.98 0.00 0.00 173.24 172.85 1n3t s ALA 193 N -2.76 -0.69 -0.08 5.32 0.00 -1.26 -4.83 121.76 117.46 1n3t s ALA 193 Ca 0.62 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.50 1n3t s ALA 193 Cb -0.17 0.44 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 1n3t s ALA 193 CO 0.50 -0.49 -0.07 0.99 0.00 0.00 0.00 175.76 176.69 1n3t s THR 194 N -3.05 3.67 -0.17 0.00 2.01 0.17 -4.94 115.64 113.33 1n3t s THR 194 Ca -0.02 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 61.51 1n3t s THR 194 Cb 0.01 -2.51 0.02 0.00 0.01 0.00 0.00 72.50 70.03 1n3t s THR 194 CO -0.07 0.58 -0.16 -0.89 -0.69 0.00 0.00 174.62 173.40 1n3t s THR 195 N -0.61 1.77 -0.02 -0.82 2.01 -1.26 -0.08 115.64 116.63 1n3t s THR 195 Ca 0.09 -0.79 0.06 0.00 0.31 0.00 0.00 61.69 61.36 1n3t s THR 195 Cb -0.12 -1.65 -0.01 0.00 0.01 0.00 0.00 72.50 70.73 1n3t s THR 195 CO 0.02 0.46 -0.19 0.42 -0.69 0.00 0.00 174.62 174.64 1n3t s THR 196 N 1.40 1.53 0.02 -0.82 -4.23 -0.80 -5.01 115.64 107.74 1n3t s THR 196 Ca 0.04 -0.82 0.03 0.00 -1.18 0.00 0.00 61.69 59.77 1n3t s THR 196 Cb -0.13 -1.28 -0.02 0.00 1.34 0.00 0.00 72.50 72.41 1n3t s THR 196 CO -0.11 0.43 -0.11 0.42 -0.54 0.00 0.00 174.62 174.72 1n3t s THR 197 N -0.39 0.82 -0.24 3.99 -4.23 -1.26 -1.09 115.64 113.24 1n3t s THR 197 Ca 0.06 -0.78 0.01 0.00 -1.18 0.00 0.00 61.69 59.80 1n3t s THR 197 Cb -0.08 -0.75 0.06 0.00 1.34 0.00 0.00 72.50 73.07 1n3t s THR 197 CO -0.00 -0.01 -0.08 -0.44 -0.54 0.00 0.00 174.62 173.55 1n3t s SER 198 N -0.89 3.94 -0.14 3.99 0.01 0.15 -4.99 113.70 115.77 1n3t s SER 198 Ca -0.00 -1.19 -0.07 0.00 1.31 0.00 0.00 55.95 55.99 1n3t s SER 198 Cb -0.07 -1.29 -0.04 0.00 0.21 0.00 0.00 66.02 64.84 1n3t s SER 198 CO 0.01 -0.21 0.11 -0.76 0.41 0.00 0.00 173.24 172.79 1n3t s LEU 199 N 1.32 4.16 0.09 2.44 1.43 -1.26 -1.18 118.68 125.67 1n3t s LEU 199 Ca -0.06 0.32 0.05 0.00 -1.03 0.00 0.00 54.13 53.40 1n3t s LEU 199 Cb -0.19 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 43.97 1n3t s LEU 199 CO -0.06 0.32 -0.13 -0.83 0.23 0.00 0.00 176.35 175.88 1n3t s GLY 200 N -0.50 0.91 0.00 -3.19 0.00 -0.34 -4.63 107.32 99.59 1n3t s GLY 200 Ca 0.11 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 43.70 1n3t s GLY 200 CO 0.02 -1.19 0.00 0.61 0.00 0.00 0.00 173.10 172.54 1n3t n GLY 201 N 0.85 3.05 0.35 0.20 0.00 -1.09 -1.95 105.19 106.60 1n3t n GLY 201 Ca -0.18 -0.35 0.17 0.00 0.00 0.00 0.00 46.02 45.66 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 0.05 -2.00 0.99 3.38 -1.94 0.12 115.31 115.90 1n3t h LEU 202 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1n3t h LEU 202 Cb 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1n3t h LEU 202 CO 0.00 0.03 0.22 -0.26 0.09 0.00 0.00 178.44 178.52 1n3t h PHE 203 N 0.06 0.00 0.00 1.13 0.04 -1.69 0.33 116.94 116.81 1n3t h PHE 203 Ca 0.21 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.66 1n3t h PHE 203 Cb 0.75 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.85 1n3t h PHE 203 CO -0.00 0.00 -1.76 1.17 -0.60 0.00 0.00 178.31 177.12 1n3t n LYS 204 N -4.44 0.57 0.03 1.51 4.81 0.24 -3.90 118.16 116.97 1n3t n LYS 204 Ca 0.04 0.43 -0.13 0.00 -0.87 0.00 0.00 58.31 57.79 1n3t n LYS 204 Cb 0.38 -1.63 -0.09 0.00 0.02 0.00 0.00 35.03 33.72 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 -1.00 -0.08 -2.75 3.14 4.64 -0.95 -3.43 113.55 113.13 1n3t h SER 205 Ca -0.47 -0.34 -0.54 0.00 -0.47 0.00 0.00 61.79 59.96 1n3t h SER 205 Cb 1.39 0.02 -0.07 0.00 -0.31 0.00 0.00 62.40 63.43 1n3t h SER 205 CO -0.29 0.31 1.06 -0.55 -0.87 0.00 0.00 176.83 176.49 1n3t s SER 206 N -5.48 6.19 0.39 4.97 0.15 0.11 -4.89 113.70 115.15 1n3t s SER 206 Ca -0.15 -0.00 0.19 0.00 0.70 0.00 0.00 55.95 56.69 1n3t s SER 206 Cb 0.02 -2.55 1.14 0.00 -1.71 0.00 0.00 66.02 62.93 1n3t s SER 206 CO 0.64 -1.72 1.72 -0.61 1.20 0.00 0.00 173.24 174.47 1n3t h GLN 207 N 10.46 0.33 0.26 5.44 5.75 -1.82 0.17 115.11 135.71 1n3t h GLN 207 Ca -0.27 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.20 1n3t h GLN 207 Cb 1.07 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.55 1n3t h GLN 207 CO 1.22 0.22 -0.13 -0.97 -2.65 0.00 0.00 178.83 176.52 1n3t h ASN 208 N 0.34 -0.30 -0.08 -0.69 -1.24 -1.92 -2.62 115.58 109.08 1n3t h ASN 208 Ca 0.67 -0.22 -0.04 0.00 0.71 0.00 0.00 56.30 57.41 1n3t h ASN 208 Cb 1.72 0.08 -0.01 0.00 0.73 0.00 0.00 38.32 40.83 1n3t h ASN 208 CO -0.38 0.10 -0.06 0.74 -1.29 0.00 0.00 177.43 176.55 1n3t h THR 209 N -0.76 1.17 0.36 -3.57 2.02 -1.58 -2.25 112.91 108.30 1n3t h THR 209 Ca -0.04 -0.69 -0.02 0.00 0.77 0.00 0.00 66.41 66.44 1n3t h THR 209 Cb 0.50 1.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1n3t h THR 209 CO 0.06 0.22 -0.24 -0.09 0.37 0.00 0.00 175.52 175.84 1n3t h ARG 210 N 0.31 -0.55 -0.56 6.66 2.43 -0.70 -3.08 114.38 118.90 1n3t h ARG 210 Ca 0.07 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.30 1n3t h ARG 210 Cb 0.31 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 1n3t h ARG 210 CO 0.01 -0.37 0.37 0.45 -1.51 0.00 0.00 179.97 178.93 1n3t h HIS 211 N -0.57 0.65 -0.05 2.20 3.86 -1.39 -1.08 115.15 118.76 1n3t h HIS 211 Ca -0.05 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1n3t h HIS 211 Cb 0.46 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 28.71 1n3t h HIS 211 CO -0.03 0.39 0.09 0.93 0.86 0.00 0.00 177.93 180.17 1n3t h GLU 212 N 0.68 0.00 0.00 2.45 5.08 -1.35 -1.07 114.58 120.37 1n3t h GLU 212 Ca 0.22 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 1n3t h GLU 212 Cb 0.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1n3t h GLU 212 CO -0.05 0.00 -0.55 0.35 -1.00 0.00 0.00 179.01 177.75 1n3t h PHE 213 N 0.00 0.00 -0.92 4.33 3.57 -1.13 -3.30 116.94 119.48 1n3t h PHE 213 Ca 0.03 0.00 0.27 0.00 3.53 0.00 0.00 57.97 61.79 1n3t h PHE 213 Cb 0.20 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 1n3t h PHE 213 CO 0.00 0.14 0.73 -0.07 -2.23 0.00 0.00 178.31 176.88 1n3t h LEU 214 N -1.00 0.00 0.08 0.59 3.38 -1.24 -0.27 115.31 116.85 1n3t h LEU 214 Ca -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1n3t h LEU 214 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1n3t h LEU 214 CO -0.02 0.00 -0.04 -0.09 0.09 0.00 0.00 178.44 178.38 1n3t h ARG 215 N 0.00 -0.10 -0.62 1.13 2.43 -1.36 -3.15 114.38 112.72 1n3t h ARG 215 Ca 0.44 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.61 1n3t h ARG 215 Cb 1.90 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.47 1n3t h ARG 215 CO -0.00 0.42 0.00 0.00 -1.51 0.00 0.00 179.97 178.87 1n3t n ALA 216 N -2.46 2.03 -2.82 2.80 0.00 -0.13 -4.77 120.51 115.15 1n3t n ALA 216 Ca -0.08 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.09 1n3t n ALA 216 Cb 0.28 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.68 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 -1.09 4.63 -0.12 0.00 1.01 -1.08 -4.81 120.40 118.95 1n3t s VAL 217 Ca 0.00 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 61.01 1n3t s VAL 217 Cb 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1n3t s VAL 217 CO 0.00 -0.07 0.12 -1.14 0.00 0.00 0.00 175.10 174.02 1n3t n ARG 218 N -0.24 -0.30 -4.71 2.72 0.00 -1.26 -5.05 116.66 107.82 1n3t n ARG 218 Ca -0.08 0.72 -0.30 0.00 -0.00 0.00 0.00 57.85 58.19 1n3t n ARG 218 Cb 0.54 -2.27 -0.14 0.00 0.00 0.00 0.00 32.46 30.59 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 -2.44 2.41 -0.19 -0.14 3.76 -1.26 -5.13 115.29 112.31 1n3t s HIS 219 Ca 0.01 -0.35 -0.02 0.00 -0.15 0.00 0.00 55.06 54.56 1n3t s HIS 219 Cb -0.00 -1.39 -0.01 0.00 1.11 0.00 0.00 32.58 32.29 1n3t s HIS 219 CO 0.14 0.22 -0.09 -1.58 -0.85 0.00 0.00 174.74 172.58 1n3t s HIS 220 N -0.90 2.90 0.00 1.40 2.46 -1.26 -4.88 115.29 115.01 1n3t s HIS 220 Ca 0.13 -0.94 0.00 0.00 0.47 0.00 0.00 55.06 54.72 1n3t s HIS 220 Cb -0.10 -2.01 0.00 0.00 -0.13 0.00 0.00 32.58 30.34 1n3t s HIS 220 CO 0.04 -0.48 0.00 0.09 -2.47 0.00 0.00 174.74 171.92