#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n3t n SER 2 N 0.00 0.00 0.00 3.54 2.88 -1.26 -5.15 113.62 113.63 1n3t n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1n3t n SER 2 Cb 0.00 -0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 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 -2.18 0.00 -3.92 2.46 4.77 -1.26 -4.92 117.00 111.95 1n3t n LEU 3 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 1n3t n LEU 3 Cb 0.00 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 40.97 1n3t n LEU 3 CO 0.00 0.00 -0.31 -0.94 -1.33 0.00 0.00 177.39 174.81 1n3t s SER 4 N 1.18 0.11 0.12 -1.43 1.04 -1.26 -5.06 113.70 108.39 1n3t s SER 4 Ca 0.00 -0.25 -0.29 0.00 0.48 0.00 0.00 55.95 55.89 1n3t s SER 4 Cb 0.00 0.11 -0.07 0.00 0.10 0.00 0.00 66.02 66.16 1n3t s SER 4 CO 0.00 -0.22 1.59 0.11 0.98 0.00 0.00 173.24 175.71 1n3t h LYS 5 N 5.07 -0.53 0.38 4.02 1.57 -2.01 -0.67 116.57 124.41 1n3t h LYS 5 Ca -0.29 0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1n3t h LYS 5 Cb 1.21 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.62 1n3t h LYS 5 CO 0.43 -0.36 -0.38 0.93 -0.57 0.00 0.00 179.45 179.51 1n3t h GLU 6 N -0.55 -0.76 -0.93 3.15 3.07 -1.98 -1.77 114.58 114.81 1n3t h GLU 6 Ca 0.05 0.05 0.26 0.00 -0.50 0.00 0.00 59.36 59.22 1n3t h GLU 6 Cb 0.63 0.17 -0.16 0.00 -0.84 0.00 0.00 28.75 28.55 1n3t h GLU 6 CO -0.30 -0.50 0.14 0.00 -1.40 0.00 0.00 179.01 176.94 1n3t h ALA 7 N -0.37 1.26 0.92 3.43 0.00 -1.85 0.20 119.26 122.84 1n3t h ALA 7 Ca -0.03 0.29 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1n3t h ALA 7 Cb 0.70 0.47 0.01 0.00 0.00 0.00 0.00 17.79 18.97 1n3t h ALA 7 CO -0.06 -0.56 -0.46 0.00 0.00 0.00 0.00 179.25 178.17 1n3t h ALA 8 N 1.90 -1.26 -0.22 0.00 0.00 -0.47 0.60 119.26 119.80 1n3t h ALA 8 Ca 0.59 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 55.29 1n3t h ALA 8 Cb 1.24 0.51 -0.07 0.00 0.00 0.00 0.00 17.79 19.46 1n3t h ALA 8 CO -0.80 -1.21 -0.28 -0.07 0.00 0.00 0.00 179.25 176.89 1n3t h LEU 9 N -1.25 -0.88 -0.29 0.00 3.38 -0.18 -0.34 115.31 115.75 1n3t h LEU 9 Ca -0.13 0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.05 1n3t h LEU 9 Cb 0.97 0.40 -0.06 0.00 0.09 0.00 0.00 40.66 42.06 1n3t h LEU 9 CO 0.20 -0.31 -0.08 0.58 0.09 0.00 0.00 178.44 178.91 1n3t h VAL 10 N -0.30 0.69 0.26 1.22 2.07 -0.63 0.21 116.25 119.77 1n3t h VAL 10 Ca 0.13 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.65 1n3t h VAL 10 Cb 0.50 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 1n3t h VAL 10 CO -0.39 0.00 -0.43 -0.74 0.02 0.00 0.00 177.57 176.03 1n3t h HIS 11 N -0.02 -1.19 -0.40 1.57 -0.00 -0.24 -1.62 115.15 113.24 1n3t h HIS 11 Ca 0.14 0.02 0.07 0.00 -0.00 0.00 0.00 60.37 60.60 1n3t h HIS 11 Cb 0.23 0.49 -0.06 0.00 -0.00 0.00 0.00 27.41 28.07 1n3t h HIS 11 CO -0.29 -0.55 0.04 0.93 -0.00 0.00 0.00 177.93 178.06 1n3t h GLU 12 N -0.76 0.15 -1.00 5.26 5.08 -0.72 -0.33 114.58 122.25 1n3t h GLU 12 Ca -0.01 -0.01 0.21 0.00 -1.00 0.00 0.00 59.36 58.55 1n3t h GLU 12 Cb 0.73 -0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.83 1n3t h GLU 12 CO -0.16 0.10 0.61 0.00 -1.00 0.00 0.00 179.01 178.56 1n3t h ALA 13 N 1.33 1.77 -0.04 3.43 0.00 -0.23 0.17 119.26 125.69 1n3t h ALA 13 Ca 0.20 0.09 -0.15 0.00 0.00 0.00 0.00 54.91 55.04 1n3t h ALA 13 Cb 0.26 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1n3t h ALA 13 CO -0.29 -0.16 -0.57 -0.07 0.00 0.00 0.00 179.25 178.16 1n3t h LEU 14 N 0.68 0.57 -0.98 0.00 3.38 -0.24 -3.04 115.31 115.69 1n3t h LEU 14 Ca 0.59 -0.71 0.03 0.00 0.09 0.00 0.00 57.88 57.88 1n3t h LEU 14 Cb 1.03 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.55 1n3t h LEU 14 CO -0.39 1.20 0.64 0.58 0.09 0.00 0.00 178.44 180.56 1n3t h VAL 15 N -0.00 1.20 -0.84 1.22 2.07 0.05 0.85 116.25 120.80 1n3t h VAL 15 Ca -0.06 -0.43 0.06 0.00 0.82 0.00 0.00 66.70 67.08 1n3t h VAL 15 Cb 1.25 -0.18 -0.06 0.00 -1.52 0.00 0.00 31.29 30.78 1n3t h VAL 15 CO 0.11 0.23 0.52 0.00 0.02 0.00 0.00 177.57 178.46 1n3t h ALA 16 N 1.38 1.15 0.00 1.67 0.00 -0.73 -1.42 119.26 121.31 1n3t h ALA 16 Ca 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1n3t h ALA 16 Cb -0.06 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.50 1n3t h ALA 16 CO -0.11 0.27 -0.44 -2.13 0.00 0.00 0.00 179.25 176.84 1n3t n ARG 17 N -4.62 0.16 -0.93 0.00 3.00 -0.79 -4.92 116.66 108.56 1n3t n ARG 17 Ca 0.12 0.06 0.00 0.00 -0.00 0.00 0.00 57.85 58.03 1n3t n ARG 17 Cb 0.16 -1.62 0.00 0.00 0.00 0.00 0.00 32.46 31.01 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 1.41 0.42 1.66 5.14 0.00 0.15 -4.93 105.19 109.04 1n3t n GLY 18 Ca 0.05 -1.02 0.01 0.00 0.00 0.00 0.00 46.02 45.05 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 0.00 4.93 -4.85 0.99 4.77 -0.35 -4.91 117.00 117.58 1n3t n LEU 19 Ca 0.00 -2.53 -0.33 0.00 -0.03 0.00 0.00 56.01 53.13 1n3t n LEU 19 Cb 0.00 -0.67 -0.06 0.00 -2.33 0.00 0.00 43.42 40.36 1n3t n LEU 19 CO 0.00 0.62 0.39 -1.61 -1.33 0.00 0.00 177.39 175.46 1n3t s GLU 20 N -2.40 3.99 0.11 3.23 0.41 -1.24 -4.74 118.70 118.05 1n3t s GLU 20 Ca 0.43 0.63 -0.31 0.00 -0.41 0.00 0.00 54.97 55.31 1n3t s GLU 20 Cb 0.33 -2.48 -0.08 0.00 -1.78 0.00 0.00 34.13 30.12 1n3t s GLU 20 CO 0.12 0.19 1.50 0.99 -0.49 0.00 0.00 175.26 177.56 1n3t s THR 21 N -1.94 3.08 -0.89 3.63 2.01 -1.26 -4.84 115.64 115.43 1n3t s THR 21 Ca 0.53 0.71 -0.29 0.00 0.31 0.00 0.00 61.69 62.95 1n3t s THR 21 Cb -0.11 -3.45 -0.19 0.00 0.01 0.00 0.00 72.50 68.76 1n3t s THR 21 CO 0.18 0.04 2.61 -2.65 -0.69 0.00 0.00 174.62 174.10 1n3t n PRO 22 N 4.48 0.23 -4.60 4.92 -0.02 -1.26 -4.90 135.00 133.84 1n3t n PRO 22 Ca 0.13 -0.01 -0.28 0.00 -2.02 0.00 0.00 63.50 61.32 1n3t n PRO 22 Cb 0.41 -1.92 -0.08 0.00 -0.02 0.00 0.00 33.50 31.89 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 9.32 2.18 0.01 2.45 1.02 -1.26 -5.17 118.68 127.23 1n3t s LEU 23 Ca 1.27 -1.61 0.06 0.00 0.02 0.00 0.00 54.13 53.87 1n3t s LEU 23 Cb -0.99 -0.41 -0.02 0.00 0.02 0.00 0.00 46.19 44.79 1n3t s LEU 23 CO 0.44 -0.83 -0.18 -0.13 0.02 0.00 0.00 176.35 175.67 1n3t s ARG 24 N -3.79 1.38 -0.20 1.70 0.52 -1.26 -5.09 118.95 112.21 1n3t s ARG 24 Ca 0.20 -0.73 -0.38 0.00 -0.52 0.00 0.00 55.73 54.31 1n3t s ARG 24 Cb 0.03 -1.38 -0.14 0.00 0.52 0.00 0.00 34.95 33.99 1n3t s ARG 24 CO 0.11 0.37 1.80 -2.30 0.02 0.00 0.00 175.30 175.30 1n3t n PRO 25 N 2.36 1.59 -0.40 3.54 -0.02 -1.26 -4.81 135.00 136.01 1n3t n PRO 25 Ca -0.16 0.58 0.35 0.00 -2.02 0.00 0.00 63.50 62.26 1n3t n PRO 25 Cb 0.54 -2.34 0.62 0.00 -0.02 0.00 0.00 33.50 32.30 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 8.06 0.04 0.00 0.52 0.11 -2.04 -3.45 132.00 135.24 1n3t h PRO 26 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1n3t h PRO 26 Cb 1.30 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1n3t h PRO 26 CO 0.96 0.03 0.00 0.28 -0.21 0.00 0.00 178.00 179.05 1n3t n VAL 27 N -4.96 0.00 -4.23 3.15 0.31 -1.26 -4.76 118.33 106.57 1n3t n VAL 27 Ca 0.38 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.47 1n3t n VAL 27 Cb 1.39 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 34.25 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 2.80 -1.18 3.52 -3.43 -1.26 -5.06 115.29 110.68 1n3t s HIS 28 Ca 0.00 -0.17 -0.06 0.00 -0.80 0.00 0.00 55.06 54.02 1n3t s HIS 28 Cb 0.00 -1.30 0.24 0.00 -1.43 0.00 0.00 32.58 30.08 1n3t s HIS 28 CO 0.00 0.56 1.70 0.39 -2.00 0.00 0.00 174.74 175.39 1n3t n GLU 29 N -0.52 4.11 -1.66 -0.38 1.02 -1.26 -5.02 120.64 116.92 1n3t n GLU 29 Ca -0.08 -4.05 -0.44 0.00 -0.02 0.00 0.00 57.16 52.57 1n3t n GLU 29 Cb 0.57 -2.71 -0.02 0.00 -0.02 0.00 0.00 31.44 29.27 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 2.49 1.90 -1.57 3.49 0.00 -1.26 -4.84 117.12 117.32 1n3t n MET 30 Ca 0.34 0.67 -0.49 0.00 -0.00 0.00 0.00 57.70 58.22 1n3t n MET 30 Cb 0.34 -2.23 -0.04 0.00 0.00 0.00 0.00 33.22 31.30 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 1.32 1.28 -0.27 6.12 2.03 -1.26 -4.88 116.55 120.88 1n3t n ASP 31 Ca 0.08 1.14 -0.04 0.00 0.52 0.00 0.00 54.79 56.49 1n3t n ASP 31 Cb 0.33 -1.21 0.11 0.00 -0.72 0.00 0.00 41.12 39.63 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 3.22 1.04 0.77 1.67 -1.24 -2.01 -2.31 115.58 116.71 1n3t h ASN 32 Ca -0.43 -0.14 -0.07 0.00 0.71 0.00 0.00 56.30 56.37 1n3t h ASN 32 Cb 1.35 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 40.12 1n3t h ASN 32 CO 0.69 0.90 -0.35 -0.33 -1.29 0.00 0.00 177.43 177.05 1n3t h GLU 33 N 1.12 0.00 -0.46 6.67 5.08 -2.01 -2.97 114.58 122.01 1n3t h GLU 33 Ca 0.26 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.51 1n3t h GLU 33 Cb 0.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1n3t h GLU 33 CO -0.03 0.35 -0.15 1.15 -1.00 0.00 0.00 179.01 179.33 1n3t h THR 34 N 0.00 1.27 -0.35 1.13 2.02 -1.78 -2.95 112.91 112.24 1n3t h THR 34 Ca -0.00 -1.27 -0.13 0.00 0.77 0.00 0.00 66.41 65.78 1n3t h THR 34 Cb 0.83 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1n3t h THR 34 CO 0.05 0.43 -0.31 0.03 0.37 0.00 0.00 175.52 176.09 1n3t h ARG 35 N 0.77 0.77 -0.75 6.66 3.08 -1.35 -2.70 114.38 120.87 1n3t h ARG 35 Ca 0.12 -0.36 -0.03 0.00 0.07 0.00 0.00 59.98 59.78 1n3t h ARG 35 Cb 0.67 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.68 1n3t h ARG 35 CO 0.05 0.98 0.35 0.87 -1.07 0.00 0.00 179.97 181.15 1n3t h LYS 36 N 0.65 1.07 0.00 0.04 1.57 -1.50 0.31 116.57 118.72 1n3t h LYS 36 Ca 0.07 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 1n3t h LYS 36 Cb 0.85 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1n3t h LYS 36 CO 0.07 0.83 -0.22 0.66 -0.57 0.00 0.00 179.45 180.23 1n3t h SER 37 N 1.06 0.00 0.00 0.86 4.64 -1.36 -0.05 113.55 118.70 1n3t h SER 37 Ca 0.26 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.47 1n3t h SER 37 Cb 0.12 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 1n3t h SER 37 CO -0.03 0.22 -0.59 -0.07 -0.87 0.00 0.00 176.83 175.49 1n3t h LEU 38 N 0.00 0.00 -0.37 5.97 3.38 -1.06 -3.14 115.31 120.09 1n3t h LEU 38 Ca -0.00 -0.68 0.06 0.00 0.09 0.00 0.00 57.88 57.35 1n3t h LEU 38 Cb 0.69 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.39 1n3t h LEU 38 CO 0.03 1.18 0.07 0.40 0.09 0.00 0.00 178.44 180.21 1n3t h ILE 39 N -1.00 0.81 -0.65 1.22 2.04 -0.95 -0.93 117.51 118.05 1n3t h ILE 39 Ca -0.16 -0.07 0.11 0.00 1.00 0.00 0.00 64.86 65.75 1n3t h ILE 39 Cb 1.06 0.60 -0.08 0.00 -0.74 0.00 0.00 36.82 37.65 1n3t h ILE 39 CO -0.09 0.04 0.23 0.00 0.00 0.00 0.00 178.15 178.32 1n3t h ALA 40 N 1.28 0.85 0.00 1.87 0.00 -1.15 -1.99 119.26 120.12 1n3t h ALA 40 Ca 0.18 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.22 1n3t h ALA 40 Cb 0.21 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1n3t h ALA 40 CO -0.23 -0.21 -0.39 0.78 0.00 0.00 0.00 179.25 179.19 1n3t h GLY 41 N 0.40 -0.71 0.11 0.00 0.00 -1.12 0.02 103.07 101.76 1n3t h GLY 41 Ca 0.34 0.48 0.17 0.00 0.00 0.00 0.00 47.33 48.32 1n3t h GLY 41 CO -0.35 -0.25 0.47 0.45 0.00 0.00 0.00 176.54 176.87 1n3t h HIS 42 N -0.55 0.82 -0.67 5.60 -0.00 -0.93 0.17 115.15 119.59 1n3t h HIS 42 Ca 0.05 0.04 -0.08 0.00 -0.00 0.00 0.00 60.37 60.38 1n3t h HIS 42 Cb 0.63 -0.23 -0.03 0.00 -0.00 0.00 0.00 27.41 27.79 1n3t h HIS 42 CO -0.40 0.15 0.12 0.52 -0.00 0.00 0.00 177.93 178.32 1n3t h MET 43 N 0.61 1.10 -0.86 2.45 2.86 -0.80 -0.23 114.93 120.06 1n3t h MET 43 Ca 0.51 -0.29 0.09 0.00 -2.06 0.00 0.00 59.70 57.96 1n3t h MET 43 Cb 0.80 -0.13 -0.07 0.00 0.06 0.00 0.00 31.60 32.26 1n3t h MET 43 CO -0.40 1.00 0.51 1.15 1.06 0.00 0.00 176.91 180.22 1n3t h THR 44 N 1.02 0.94 0.76 2.22 2.02 0.12 -0.93 112.91 119.06 1n3t h THR 44 Ca 0.20 -0.29 -0.04 0.00 0.77 0.00 0.00 66.41 67.05 1n3t h THR 44 Cb 0.43 0.01 0.01 0.00 -1.74 0.00 0.00 68.15 66.85 1n3t h THR 44 CO 0.01 0.16 -0.36 -0.33 0.37 0.00 0.00 175.52 175.36 1n3t h GLU 45 N 0.86 -0.98 -0.76 6.66 4.39 -0.04 -2.81 114.58 121.89 1n3t h GLU 45 Ca 0.40 0.07 0.17 0.00 0.34 0.00 0.00 59.36 60.34 1n3t h GLU 45 Cb 0.33 0.22 -0.11 0.00 -0.10 0.00 0.00 28.75 29.09 1n3t h GLU 45 CO -0.23 -0.65 0.17 0.82 -1.16 0.00 0.00 179.01 177.96 1n3t h ILE 46 N -1.09 0.48 -0.25 3.13 2.04 -0.74 0.21 117.51 121.30 1n3t h ILE 46 Ca -0.10 -0.09 0.02 0.00 1.00 0.00 0.00 64.86 65.69 1n3t h ILE 46 Cb 0.78 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1n3t h ILE 46 CO 0.17 0.05 0.17 0.24 0.00 0.00 0.00 178.15 178.77 1n3t h MET 47 N 0.25 0.25 -0.01 2.37 2.86 -1.17 0.19 114.93 119.67 1n3t h MET 47 Ca 0.43 -0.02 -0.17 0.00 -2.06 0.00 0.00 59.70 57.88 1n3t h MET 47 Cb 0.76 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 1n3t h MET 47 CO -0.54 0.17 -0.78 1.96 1.06 0.00 0.00 176.91 178.78 1n3t h GLN 48 N 0.26 0.15 0.00 1.72 4.20 -0.40 -2.05 115.11 118.98 1n3t h GLN 48 Ca 0.10 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1n3t h GLN 48 Cb 0.08 0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1n3t h GLN 48 CO -0.02 0.86 0.00 1.28 -0.67 0.00 0.00 178.83 180.28 1n3t n LEU 49 N -3.70 0.00 -0.11 1.46 4.77 0.61 -1.60 117.00 118.42 1n3t n LEU 49 Ca -0.03 0.08 0.01 0.00 -0.03 0.00 0.00 56.01 56.05 1n3t n LEU 49 Cb 0.74 -0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.78 1n3t n LEU 49 CO 0.46 -0.04 0.47 0.18 -1.33 0.00 0.00 177.39 177.14 1n3t n LEU 50 N -1.08 1.97 -3.33 2.23 4.77 -0.77 -4.99 117.00 115.80 1n3t n LEU 50 Ca 0.12 -1.79 -0.21 0.00 -0.03 0.00 0.00 56.01 54.09 1n3t n LEU 50 Cb 0.08 -0.04 0.07 0.00 -2.33 0.00 0.00 43.42 41.21 1n3t n LEU 50 CO 0.11 0.49 0.22 0.59 -1.33 0.00 0.00 177.39 177.47 1n3t n ASN 51 N -0.22 -5.73 -4.63 -1.43 3.02 -0.63 -4.99 115.26 100.66 1n3t n ASN 51 Ca 0.02 -0.50 -0.38 0.00 -0.03 0.00 0.00 54.58 53.69 1n3t n ASN 51 Cb 0.24 -4.66 -0.09 0.00 -0.61 0.00 0.00 39.78 34.65 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 -6.72 4.09 -1.04 3.41 1.43 -0.82 -5.00 118.68 114.02 1n3t s LEU 52 Ca 0.50 0.22 -0.25 0.00 -1.03 0.00 0.00 54.13 53.57 1n3t s LEU 52 Cb -0.22 -2.28 -0.13 0.00 0.03 0.00 0.00 46.19 43.60 1n3t s LEU 52 CO 0.67 -0.05 2.05 -0.62 0.23 0.00 0.00 176.35 178.63 1n3t s ASP 53 N 1.34 4.44 0.00 2.29 2.15 -1.26 -4.65 116.67 120.98 1n3t s ASP 53 Ca 0.12 -1.03 0.00 0.00 0.43 0.00 0.00 52.55 52.07 1n3t s ASP 53 Cb -0.15 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.89 1n3t s ASP 53 CO 0.08 -3.60 0.27 0.18 -0.17 0.00 0.00 175.17 171.93 1n3t n LEU 54 N 16.40 0.03 -0.02 -1.34 4.77 -1.26 -0.81 117.00 134.78 1n3t n LEU 54 Ca 0.43 -0.02 -0.15 0.00 -0.03 0.00 0.00 56.01 56.25 1n3t n LEU 54 Cb 0.46 -0.02 -0.14 0.00 -2.33 0.00 0.00 43.42 41.39 1n3t n LEU 54 CO 0.62 0.01 -0.72 0.00 -1.33 0.00 0.00 177.39 175.96 1n3t n ALA 55 N -0.40 1.22 -1.55 -1.18 0.00 -1.26 -4.38 120.51 112.96 1n3t n ALA 55 Ca 0.00 -0.73 -0.48 0.00 0.00 0.00 0.00 53.44 52.23 1n3t n ALA 55 Cb 0.01 -0.71 -0.03 0.00 0.00 0.00 0.00 19.45 18.72 1n3t n ALA 55 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1n3t n ASP 56 N -3.24 0.89 0.31 0.00 2.03 0.01 -4.84 116.55 111.71 1n3t n ASP 56 Ca -0.26 1.15 0.19 0.00 0.52 0.00 0.00 54.79 56.39 1n3t n ASP 56 Cb 1.05 -1.18 1.04 0.00 -0.72 0.00 0.00 41.12 41.31 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 2.60 0.00 0.00 1.67 2.03 -1.91 -2.86 116.42 117.96 1n3t h ASP 57 Ca -0.40 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 55.84 1n3t h ASP 57 Cb 1.36 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.85 1n3t h ASP 57 CO 0.65 0.00 -0.71 -0.24 -1.03 0.00 0.00 179.24 177.91 1n3t n SER 58 N -3.46 1.82 0.34 4.15 2.88 -1.26 -4.31 113.62 113.79 1n3t n SER 58 Ca -0.02 0.58 0.20 0.00 -1.33 0.00 0.00 58.87 58.30 1n3t n SER 58 Cb 0.12 -0.90 1.05 0.00 -0.75 0.00 0.00 64.21 63.74 1n3t n SER 58 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1n3t h LEU 59 N -1.00 0.00 -1.10 2.46 3.38 -1.87 -3.01 115.31 114.17 1n3t h LEU 59 Ca -0.09 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.97 1n3t h LEU 59 Cb 0.71 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.39 1n3t h LEU 59 CO -0.05 0.00 0.61 -0.03 0.09 0.00 0.00 178.44 179.06 1n3t h MET 60 N 0.00 0.97 0.00 1.13 4.05 -1.69 -2.86 114.93 116.53 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 0.29 -0.22 0.00 0.00 -0.80 0.00 0.00 31.60 30.87 1n3t h MET 60 CO -0.00 0.64 -0.99 0.39 0.23 0.00 0.00 176.91 177.18 1n3t n GLU 61 N -4.54 0.47 -0.33 0.39 -0.58 -1.14 -4.35 120.64 110.57 1n3t n GLU 61 Ca 0.16 0.07 0.15 0.00 -0.42 0.00 0.00 57.16 57.12 1n3t n GLU 61 Cb 0.28 -1.73 0.30 0.00 -0.57 0.00 0.00 31.44 29.73 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 0.00 0.09 -0.16 2.62 2.02 -1.64 -0.26 112.91 115.58 1n3t h THR 62 Ca 0.00 -0.02 0.05 0.00 0.77 0.00 0.00 66.41 67.21 1n3t h THR 62 Cb 0.89 0.04 -0.06 0.00 -1.74 0.00 0.00 68.15 67.28 1n3t h THR 62 CO 0.00 0.01 -0.20 -0.65 0.37 0.00 0.00 175.52 175.04 1n3t h PRO 63 N 0.05 -0.24 -0.09 6.66 0.11 -1.76 0.30 132.00 137.04 1n3t h PRO 63 Ca 0.60 0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.68 1n3t h PRO 63 Cb 1.25 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.41 1n3t h PRO 63 CO -0.85 -0.16 -0.13 1.25 -0.21 0.00 0.00 178.00 177.91 1n3t h HIS 64 N -0.24 0.14 0.11 0.65 -0.00 -1.39 -2.25 115.15 112.18 1n3t h HIS 64 Ca 0.11 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.46 1n3t h HIS 64 Cb 0.41 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.78 1n3t h HIS 64 CO -0.32 0.27 -0.05 0.00 -0.00 0.00 0.00 177.93 177.82 1n3t h ARG 65 N 0.13 -0.15 -0.56 5.26 3.08 0.04 -1.45 114.38 120.74 1n3t h ARG 65 Ca 0.03 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.13 1n3t h ARG 65 Cb 0.32 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.36 1n3t h ARG 65 CO 0.02 0.21 0.32 0.82 -1.07 0.00 0.00 179.97 180.27 1n3t h ILE 66 N -0.53 1.01 0.14 2.04 2.04 -0.30 0.86 117.51 122.76 1n3t h ILE 66 Ca -0.02 -0.21 0.02 0.00 1.00 0.00 0.00 64.86 65.65 1n3t h ILE 66 Cb 0.43 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 1n3t h ILE 66 CO 0.03 0.11 -0.25 0.00 0.00 0.00 0.00 178.15 178.04 1n3t h ALA 67 N 1.27 -0.43 -0.83 1.87 0.00 -1.40 0.24 119.26 119.98 1n3t h ALA 67 Ca 0.24 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1n3t h ALA 67 Cb 0.09 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1n3t h ALA 67 CO -0.13 -0.79 0.55 -0.22 0.00 0.00 0.00 179.25 178.66 1n3t h LYS 68 N -0.46 1.03 -0.58 0.00 3.11 -1.01 0.49 116.57 119.15 1n3t h LYS 68 Ca 0.02 -0.06 -0.09 0.00 -2.81 0.00 0.00 60.65 57.71 1n3t h LYS 68 Cb 0.48 -0.23 -0.02 0.00 -1.00 0.00 0.00 32.23 31.46 1n3t h LYS 68 CO -0.13 0.68 -0.00 1.98 -2.81 0.00 0.00 179.45 179.17 1n3t h MET 69 N 1.06 1.03 -0.22 1.90 4.05 0.14 -1.25 114.93 121.63 1n3t h MET 69 Ca 0.32 -0.33 -0.14 0.00 -0.28 0.00 0.00 59.70 59.27 1n3t h MET 69 Cb -0.02 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 30.68 1n3t h MET 69 CO -0.09 1.02 -0.40 1.88 0.23 0.00 0.00 176.91 179.55 1n3t h TYR 70 N 0.92 0.83 0.13 1.39 -1.99 0.13 -2.11 116.97 116.27 1n3t h TYR 70 Ca 0.16 -0.29 -0.01 0.00 2.00 0.00 0.00 58.73 60.60 1n3t h TYR 70 Cb 0.56 -0.16 0.00 0.00 2.00 0.00 0.00 36.73 39.13 1n3t h TYR 70 CO 0.04 1.05 -0.06 0.28 -0.00 0.00 0.00 178.16 179.47 1n3t h VAL 71 N 0.36 0.00 -0.00 -2.88 2.07 -0.89 -3.35 116.25 111.56 1n3t h VAL 71 Ca 0.01 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1n3t h VAL 71 Cb 0.99 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1n3t h VAL 71 CO 0.09 0.00 -0.28 0.47 0.02 0.00 0.00 177.57 177.87 1n3t n ASP 72 N -4.43 0.49 0.00 0.57 8.00 -0.48 -4.55 116.55 116.16 1n3t n ASP 72 Ca -0.02 -0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.18 1n3t n ASP 72 Cb 0.07 0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 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 -1.23 0.00 0.18 -1.24 1.02 -1.09 -4.70 120.64 113.58 1n3t n GLU 73 Ca 0.09 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.38 1n3t n GLU 73 Cb 0.33 0.00 0.54 0.00 -0.02 0.00 0.00 31.44 32.28 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 0.09 -0.17 -3.67 3.07 -1.65 0.14 117.51 115.31 1n3t h ILE 74 Ca 0.00 0.00 -0.04 0.00 1.55 0.00 0.00 64.86 66.37 1n3t h ILE 74 Cb 0.00 0.38 -0.02 0.00 -0.27 0.00 0.00 36.82 36.91 1n3t h ILE 74 CO 0.00 0.00 -0.06 0.49 -1.05 0.00 0.00 178.15 177.53 1n3t n PHE 75 N -3.04 0.60 0.31 0.16 3.72 -1.25 -2.68 117.46 115.27 1n3t n PHE 75 Ca 0.05 -1.12 0.08 0.00 -0.05 0.00 0.00 57.45 56.42 1n3t n PHE 75 Cb 0.79 -0.29 0.38 0.00 -0.94 0.00 0.00 39.48 39.42 1n3t n PHE 75 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1n3t n SER 76 N -0.98 0.36 -0.02 4.37 3.41 0.49 -2.23 113.62 119.03 1n3t n SER 76 Ca 0.22 0.61 0.15 0.00 -0.26 0.00 0.00 58.87 59.60 1n3t n SER 76 Cb 0.83 -0.68 0.85 0.00 -0.26 0.00 0.00 64.21 64.95 1n3t n SER 76 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n3t n GLY 77 N -0.50 -1.08 0.19 5.00 0.00 -0.53 -3.15 105.19 105.11 1n3t n GLY 77 Ca 0.01 -0.19 0.05 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.08 0.57 -3.63 0.99 4.77 -0.94 -4.56 117.00 113.11 1n3t n LEU 78 Ca 0.20 -0.26 -0.29 0.00 -0.03 0.00 0.00 56.01 55.63 1n3t n LEU 78 Cb 0.17 -0.06 -0.16 0.00 -2.33 0.00 0.00 43.42 41.05 1n3t n LEU 78 CO 0.20 0.13 -0.34 -0.62 -1.33 0.00 0.00 177.39 175.44 1n3t s ASP 79 N -1.26 3.37 0.00 -1.43 2.15 -1.19 -5.00 116.67 113.31 1n3t s ASP 79 Ca 0.17 -1.19 0.00 0.00 0.43 0.00 0.00 52.55 51.96 1n3t s ASP 79 Cb 0.09 -0.51 0.00 0.00 -0.30 0.00 0.00 42.92 42.20 1n3t s ASP 79 CO 0.13 -0.40 0.32 -1.22 -0.17 0.00 0.00 175.17 173.83 1n3t n TYR 80 N 5.12 0.00 0.83 -5.34 4.02 -1.26 -0.52 117.16 120.00 1n3t n TYR 80 Ca -0.06 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 57.97 1n3t n TYR 80 Cb 0.44 0.00 0.53 0.00 -0.02 0.00 0.00 39.34 40.28 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 -0.80 2.26 0.37 -0.72 0.00 -1.26 -3.08 120.51 117.27 1n3t n ALA 81 Ca 0.00 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.48 1n3t n ALA 81 Cb 0.00 -1.46 -0.15 0.00 0.00 0.00 0.00 19.45 17.85 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 -1.79 0.38 -4.14 0.00 3.02 0.32 -5.01 115.26 108.04 1n3t n ASN 82 Ca 0.06 -0.36 -0.41 0.00 -0.03 0.00 0.00 54.58 53.84 1n3t n ASN 82 Cb 0.36 1.60 -0.01 0.00 -0.61 0.00 0.00 39.78 41.12 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 -1.98 -1.74 -2.33 3.10 7.35 -1.18 -4.86 117.46 115.82 1n3t n PHE 83 Ca -0.01 0.66 -0.36 0.00 -0.76 0.00 0.00 57.45 56.98 1n3t n PHE 83 Cb 0.48 -1.74 -0.01 0.00 0.35 0.00 0.00 39.48 38.56 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 -0.96 3.71 -0.80 -7.13 0.04 -1.26 -4.94 135.00 123.67 1n3t s PRO 84 Ca 0.58 1.65 -0.26 0.00 0.04 0.00 0.00 61.00 63.01 1n3t s PRO 84 Cb -0.66 -2.29 0.02 0.00 0.04 0.00 0.00 34.50 31.61 1n3t s PRO 84 CO 0.59 -0.56 1.47 0.15 0.04 0.00 0.00 177.00 178.70 1n3t s LYS 85 N -2.88 3.14 0.67 4.56 1.02 -1.26 -4.96 119.74 120.03 1n3t s LYS 85 Ca 0.66 -0.32 -0.16 0.00 0.02 0.00 0.00 55.97 56.16 1n3t s LYS 85 Cb -0.25 -4.58 0.00 0.00 -0.52 0.00 0.00 37.83 32.48 1n3t s LYS 85 CO 0.30 -2.36 1.17 0.42 -0.92 0.00 0.00 175.35 173.96 1n3t s ILE 86 N 6.46 2.72 -0.21 2.17 1.01 -1.26 -5.04 121.20 127.05 1n3t s ILE 86 Ca 0.46 0.37 -0.11 0.00 0.00 0.00 0.00 60.65 61.38 1n3t s ILE 86 Cb -0.07 -2.97 0.08 0.00 0.01 0.00 0.00 42.46 39.51 1n3t s ILE 86 CO 0.08 -0.17 0.50 0.42 0.00 0.00 0.00 174.94 175.78 1n3t s THR 87 N -2.00 -0.23 0.31 2.92 -4.23 -1.26 -5.13 115.64 106.03 1n3t s THR 87 Ca 0.73 0.08 0.07 0.00 -1.18 0.00 0.00 61.69 61.39 1n3t s THR 87 Cb -0.26 -0.75 -0.06 0.00 1.34 0.00 0.00 72.50 72.76 1n3t s THR 87 CO 0.40 0.03 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.70 1n3t s LEU 88 N 1.83 2.56 -0.03 4.79 1.43 -1.26 -2.75 118.68 125.25 1n3t s LEU 88 Ca -0.08 -1.22 0.01 0.00 -1.03 0.00 0.00 54.13 51.82 1n3t s LEU 88 Cb -0.09 -0.74 0.01 0.00 0.03 0.00 0.00 46.19 45.41 1n3t s LEU 88 CO -0.15 -0.33 -0.04 -0.63 0.23 0.00 0.00 176.35 175.43 1n3t s ILE 89 N -2.90 0.47 0.28 -0.59 1.01 -0.80 -4.96 121.20 113.72 1n3t s ILE 89 Ca 0.31 -0.13 -0.27 0.00 0.00 0.00 0.00 60.65 60.56 1n3t s ILE 89 Cb 0.04 -0.47 -0.15 0.00 0.01 0.00 0.00 42.46 41.89 1n3t s ILE 89 CO 0.14 0.19 0.69 1.21 0.00 0.00 0.00 174.94 177.17 1n3t n GLU 90 N 3.72 0.62 -2.17 2.79 2.13 -1.26 -0.96 120.64 125.51 1n3t n GLU 90 Ca -0.22 0.22 -0.41 0.00 0.66 0.00 0.00 57.16 57.40 1n3t n GLU 90 Cb 0.53 -1.41 0.00 0.00 0.27 0.00 0.00 31.44 30.82 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 1.58 6.40 0.19 4.31 5.15 0.18 -4.66 115.26 128.41 1n3t n ASN 91 Ca 0.13 -3.11 0.05 0.00 -0.60 0.00 0.00 54.58 51.05 1n3t n ASN 91 Cb 0.31 -1.43 0.36 0.00 -0.53 0.00 0.00 39.78 38.49 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 5.25 0.00 0.00 1.20 1.57 -1.88 -1.95 116.57 120.76 1n3t h LYS 92 Ca 0.53 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 1n3t h LYS 92 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1n3t h LYS 92 CO 1.57 0.38 0.00 -1.33 -0.57 0.00 0.00 179.45 179.51 1n3t n MET 93 N -3.73 0.07 -3.56 3.15 2.81 -1.26 -4.92 117.12 109.69 1n3t n MET 93 Ca -0.01 0.25 -0.22 0.00 -1.81 0.00 0.00 57.70 55.90 1n3t n MET 93 Cb 0.47 -1.62 0.02 0.00 -0.71 0.00 0.00 33.22 31.38 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 -1.75 -1.32 -2.69 0.03 4.01 -0.73 -4.88 118.16 110.82 1n3t n LYS 94 Ca 0.04 0.79 -0.43 0.00 -0.51 0.00 0.00 58.31 58.20 1n3t n LYS 94 Cb 0.24 -4.06 -0.03 0.00 -0.51 0.00 0.00 35.03 30.67 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 -3.23 4.29 -1.93 -0.18 1.01 -1.26 -4.84 120.40 114.26 1n3t s VAL 95 Ca 0.24 0.97 0.21 0.00 0.00 0.00 0.00 61.98 63.40 1n3t s VAL 95 Cb -0.09 -4.55 0.55 0.00 0.00 0.00 0.00 36.38 32.29 1n3t s VAL 95 CO 0.84 -0.99 1.46 -0.90 0.00 0.00 0.00 175.10 175.52 1n3t n ASP 96 N 7.63 3.69 -4.78 3.32 5.75 -1.26 -4.11 116.55 126.79 1n3t n ASP 96 Ca 0.09 -1.99 -0.25 0.00 -0.01 0.00 0.00 54.79 52.63 1n3t n ASP 96 Cb 0.49 -0.40 -0.05 0.00 -1.03 0.00 0.00 41.12 40.13 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 -1.10 2.81 0.45 0.11 0.41 -1.26 -4.94 118.70 115.18 1n3t s GLU 97 Ca 0.43 -0.99 -0.22 0.00 -0.41 0.00 0.00 54.97 53.78 1n3t s GLU 97 Cb 0.23 -2.55 -0.08 0.00 -1.78 0.00 0.00 34.13 29.94 1n3t s GLU 97 CO 0.30 0.45 1.07 0.00 -0.49 0.00 0.00 175.26 176.59 1n3t s MET 98 N -3.35 3.90 -0.17 1.61 0.23 -1.26 -4.35 119.30 115.91 1n3t s MET 98 Ca 0.31 1.49 -0.02 0.00 -1.03 0.00 0.00 55.69 56.44 1n3t s MET 98 Cb -0.09 -2.30 -0.01 0.00 -1.53 0.00 0.00 34.83 30.90 1n3t s MET 98 CO 0.23 -0.37 -0.09 0.08 -2.03 0.00 0.00 175.02 172.84 1n3t s VAL 99 N -1.79 3.19 -0.16 5.16 1.01 0.14 -4.94 120.40 123.01 1n3t s VAL 99 Ca 0.64 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 1n3t s VAL 99 Cb -0.21 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.77 1n3t s VAL 99 CO 0.25 0.48 -0.12 -0.89 0.00 0.00 0.00 175.10 174.82 1n3t s THR 100 N 0.91 2.96 -0.32 3.92 2.01 -1.26 -2.30 115.64 121.56 1n3t s THR 100 Ca -0.02 -0.67 -0.00 0.00 0.31 0.00 0.00 61.69 61.31 1n3t s THR 100 Cb -0.15 -2.27 0.07 0.00 0.01 0.00 0.00 72.50 70.17 1n3t s THR 100 CO 0.00 0.50 0.03 -0.69 -0.69 0.00 0.00 174.62 173.77 1n3t s VAL 101 N 0.74 2.80 0.28 3.82 1.01 0.43 -5.01 120.40 124.47 1n3t s VAL 101 Ca -0.05 -1.69 0.07 0.00 0.00 0.00 0.00 61.98 60.30 1n3t s VAL 101 Cb -0.15 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 1n3t s VAL 101 CO 0.01 -0.27 0.26 0.00 0.00 0.00 0.00 175.10 175.10 1n3t s ARG 102 N 1.16 2.95 -1.39 2.72 1.70 -1.26 -1.07 118.95 123.75 1n3t s ARG 102 Ca -0.01 -1.07 -0.09 0.00 -0.47 0.00 0.00 55.73 54.09 1n3t s ARG 102 Cb -0.20 -2.60 0.03 0.00 -0.57 0.00 0.00 34.95 31.61 1n3t s ARG 102 CO -0.03 0.30 1.05 -0.25 -1.08 0.00 0.00 175.30 175.29 1n3t n ASP 103 N -1.29 -4.83 -4.69 -2.89 8.00 -1.18 -4.95 116.55 104.72 1n3t n ASP 103 Ca -0.06 -0.65 -0.42 0.00 0.71 0.00 0.00 54.79 54.36 1n3t n ASP 103 Cb 0.58 -4.59 -0.03 0.00 -0.02 0.00 0.00 41.12 37.07 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 -3.35 4.65 -0.01 0.53 1.01 -0.16 -4.83 121.20 119.02 1n3t s ILE 104 Ca 0.48 1.92 -0.33 0.00 0.00 0.00 0.00 60.65 62.72 1n3t s ILE 104 Cb -0.22 -4.23 -0.11 0.00 0.01 0.00 0.00 42.46 37.90 1n3t s ILE 104 CO 0.77 0.04 1.89 0.41 0.00 0.00 0.00 174.94 178.05 1n3t n THR 105 N 4.39 0.58 -4.01 2.92 -1.04 -1.26 -2.03 114.28 113.82 1n3t n THR 105 Ca 0.09 -0.10 -0.30 0.00 -2.04 0.00 0.00 64.05 61.69 1n3t n THR 105 Cb 0.49 -2.01 -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 3.84 1.94 -0.24 -4.42 0.20 -1.02 -4.74 118.68 114.24 1n3t s LEU 106 Ca 0.90 -0.66 0.01 0.00 0.69 0.00 0.00 54.13 55.07 1n3t s LEU 106 Cb -0.60 -1.21 0.04 0.00 -0.43 0.00 0.00 46.19 44.00 1n3t s LEU 106 CO 0.47 -0.09 -0.11 0.42 -0.29 0.00 0.00 176.35 176.74 1n3t s THR 107 N 1.44 2.34 0.37 3.68 -4.23 -1.26 -2.78 115.64 115.20 1n3t s THR 107 Ca 0.02 -1.35 0.05 0.00 -1.18 0.00 0.00 61.69 59.24 1n3t s THR 107 Cb -0.14 -2.26 -0.02 0.00 1.34 0.00 0.00 72.50 71.42 1n3t s THR 107 CO -0.10 0.13 0.20 -0.24 -0.54 0.00 0.00 174.62 174.07 1n3t n SER 108 N 4.53 0.46 -3.99 3.99 2.88 -0.95 -4.16 113.62 116.38 1n3t n SER 108 Ca -0.16 -3.13 -0.25 0.00 -1.33 0.00 0.00 58.87 54.00 1n3t n SER 108 Cb 0.45 1.26 -0.17 0.00 -0.75 0.00 0.00 64.21 65.00 1n3t n SER 108 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1n3t s THR 109 N -3.16 1.09 -0.00 2.46 2.01 -1.25 -0.03 115.64 116.75 1n3t s THR 109 Ca 0.28 -0.42 -0.30 0.00 0.31 0.00 0.00 61.69 61.56 1n3t s THR 109 Cb 0.01 -1.03 -0.05 0.00 0.01 0.00 0.00 72.50 71.45 1n3t s THR 109 CO 0.20 0.35 1.30 0.00 -0.69 0.00 0.00 174.62 175.78 1n3t h GLU 111 N 7.49 0.00 -0.57 0.00 4.11 -1.37 0.24 114.58 124.48 1n3t h GLU 111 Ca -0.37 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 58.99 1n3t h GLU 111 Cb 1.18 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 1n3t h GLU 111 CO 0.88 0.12 0.09 0.45 0.07 0.00 0.00 179.01 180.62 1n3t h HIS 112 N 0.00 0.95 0.00 2.06 3.86 -1.89 -3.32 115.15 116.81 1n3t h HIS 112 Ca -0.00 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 1n3t h HIS 112 Cb 0.32 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.52 1n3t h HIS 112 CO 0.00 0.82 0.00 0.72 0.86 0.00 0.00 177.93 180.33 1n3t n HIS 113 N -4.24 0.00 -3.71 2.45 8.25 -1.16 -5.00 115.22 111.82 1n3t n HIS 113 Ca 0.04 -0.02 -0.27 0.00 -0.26 0.00 0.00 57.72 57.21 1n3t n HIS 113 Cb 0.27 -0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.42 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 -0.02 -2.50 -4.35 4.41 3.01 0.83 -4.97 117.46 113.87 1n3t n PHE 114 Ca 0.00 0.91 -0.28 0.00 1.01 0.00 0.00 57.45 59.09 1n3t n PHE 114 Cb 0.09 -4.40 -0.12 0.00 -0.01 0.00 0.00 39.48 35.05 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 -3.28 2.62 0.24 -4.37 1.01 -1.20 -4.88 120.40 110.53 1n3t s VAL 115 Ca 0.60 -1.72 -0.30 0.00 0.00 0.00 0.00 61.98 60.57 1n3t s VAL 115 Cb -0.29 -2.22 -0.15 0.00 0.00 0.00 0.00 36.38 33.73 1n3t s VAL 115 CO 0.75 0.02 1.07 0.41 0.00 0.00 0.00 175.10 177.34 1n3t n THR 116 N 0.60 1.57 -4.18 3.92 -1.04 -1.26 -0.90 114.28 112.99 1n3t n THR 116 Ca -0.15 -0.39 -0.30 0.00 -2.04 0.00 0.00 64.05 61.17 1n3t n THR 116 Cb 0.54 -0.95 -0.16 0.00 -1.82 0.00 0.00 70.33 67.94 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 -0.71 1.66 -0.19 12.58 1.01 0.95 -2.03 121.20 134.48 1n3t s ILE 117 Ca 0.64 -0.70 -0.02 0.00 0.00 0.00 0.00 60.65 60.56 1n3t s ILE 117 Cb -0.75 -1.53 -0.01 0.00 0.01 0.00 0.00 42.46 40.17 1n3t s ILE 117 CO 0.57 0.47 -0.08 -0.62 0.00 0.00 0.00 174.94 175.28 1n3t s ASP 118 N 1.30 4.12 0.32 3.58 2.15 0.17 -2.25 116.67 126.06 1n3t s ASP 118 Ca 0.02 -0.39 -0.11 0.00 0.43 0.00 0.00 52.55 52.50 1n3t s ASP 118 Cb -0.13 -1.68 0.04 0.00 -0.30 0.00 0.00 42.92 40.85 1n3t s ASP 118 CO -0.08 0.04 0.61 0.61 -0.17 0.00 0.00 175.17 176.18 1n3t n GLY 119 N 4.38 1.31 3.02 2.66 0.00 -1.12 0.20 105.19 115.65 1n3t n GLY 119 Ca -0.18 -1.26 -0.18 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.15 0.69 0.07 1.61 3.01 0.39 -2.42 119.74 120.94 1n3t s LYS 120 Ca 0.14 -0.35 0.09 0.00 -1.01 0.00 0.00 55.97 54.84 1n3t s LYS 120 Cb -0.04 -0.66 -0.03 0.00 -1.01 0.00 0.00 37.83 36.09 1n3t s LYS 120 CO 0.11 0.18 -0.25 0.00 0.51 0.00 0.00 175.35 175.90 1n3t s ALA 121 N -0.30 2.37 -0.13 5.17 0.00 -0.86 -1.15 121.76 126.86 1n3t s ALA 121 Ca 0.02 -1.31 0.02 0.00 0.00 0.00 0.00 51.96 50.69 1n3t s ALA 121 Cb -0.04 -0.51 0.01 0.00 0.00 0.00 0.00 23.12 22.59 1n3t s ALA 121 CO -0.00 0.55 -0.18 0.99 0.00 0.00 0.00 175.76 177.12 1n3t s THR 122 N -0.91 1.75 -0.03 0.00 2.01 0.81 -0.99 115.64 118.28 1n3t s THR 122 Ca 0.13 -0.78 0.07 0.00 0.31 0.00 0.00 61.69 61.42 1n3t s THR 122 Cb -0.10 -1.59 -0.02 0.00 0.01 0.00 0.00 72.50 70.80 1n3t s THR 122 CO 0.04 0.49 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.53 1n3t s VAL 123 N 1.04 2.17 -0.02 3.82 1.01 -0.24 -1.31 120.40 126.87 1n3t s VAL 123 Ca -0.04 -1.05 -0.03 0.00 0.00 0.00 0.00 61.98 60.86 1n3t s VAL 123 Cb -0.15 -1.77 0.01 0.00 0.00 0.00 0.00 36.38 34.47 1n3t s VAL 123 CO -0.04 0.58 0.08 0.00 0.00 0.00 0.00 175.10 175.72 1n3t s ALA 124 N -0.50 -0.19 0.15 5.51 0.00 -0.62 -0.43 121.76 125.69 1n3t s ALA 124 Ca 0.06 0.13 -0.12 0.00 0.00 0.00 0.00 51.96 52.04 1n3t s ALA 124 Cb -0.11 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 22.93 1n3t s ALA 124 CO 0.00 -0.07 0.34 1.52 0.00 0.00 0.00 175.76 177.56 1n3t s TYR 125 N -0.22 0.12 -0.29 0.00 1.13 -0.97 -0.12 117.35 116.99 1n3t s TYR 125 Ca -0.03 -0.48 -0.01 0.00 -1.41 0.00 0.00 57.07 55.14 1n3t s TYR 125 Cb -0.02 0.10 0.05 0.00 -1.10 0.00 0.00 41.96 40.99 1n3t s TYR 125 CO 0.00 -0.73 -0.01 0.42 -2.51 0.00 0.00 175.55 172.72 1n3t s ILE 126 N -3.89 2.92 0.24 -3.49 1.01 -0.84 -0.69 121.20 116.44 1n3t s ILE 126 Ca 0.10 -1.39 -0.31 0.00 0.00 0.00 0.00 60.65 59.06 1n3t s ILE 126 Cb 0.02 -2.67 -0.14 0.00 0.01 0.00 0.00 42.46 39.68 1n3t s ILE 126 CO -0.05 -0.08 1.18 -2.65 0.00 0.00 0.00 174.94 173.33 1n3t n PRO 127 N 4.61 1.48 0.00 2.79 -0.02 -1.26 -4.83 135.00 137.77 1n3t n PRO 127 Ca -0.13 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1n3t n PRO 127 Cb 0.43 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 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 1.42 0.00 -0.03 -0.52 4.81 -1.26 -4.69 118.16 117.89 1n3t n LYS 128 Ca 0.12 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.60 1n3t n LYS 128 Cb 0.29 0.00 -0.15 0.00 0.02 0.00 0.00 35.03 35.19 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 -0.76 0.55 -4.16 3.14 8.00 -1.26 -4.85 116.55 117.21 1n3t n ASP 129 Ca 0.00 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.39 1n3t n ASP 129 Cb 0.00 1.61 -0.10 0.00 -0.02 0.00 0.00 41.12 42.61 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 -4.53 1.10 -0.17 -2.24 1.04 -1.26 -0.64 113.70 106.99 1n3t s SER 130 Ca -0.08 -0.98 -0.01 0.00 0.48 0.00 0.00 55.95 55.37 1n3t s SER 130 Cb 0.10 0.10 -0.00 0.00 0.10 0.00 0.00 66.02 66.32 1n3t s SER 130 CO 0.79 -0.45 -0.13 -0.69 0.98 0.00 0.00 173.24 173.74 1n3t s VAL 131 N -3.48 2.83 0.45 5.02 1.01 -0.13 -4.74 120.40 121.36 1n3t s VAL 131 Ca 0.10 -0.70 -0.20 0.00 0.00 0.00 0.00 61.98 61.17 1n3t s VAL 131 Cb 0.04 -2.22 -0.10 0.00 0.00 0.00 0.00 36.38 34.10 1n3t s VAL 131 CO -0.05 0.50 0.97 -0.63 0.00 0.00 0.00 175.10 175.90 1n3t s ILE 132 N 0.93 4.25 0.28 2.22 1.01 -1.26 -1.90 121.20 126.73 1n3t s ILE 132 Ca -0.03 1.37 -0.29 0.00 0.00 0.00 0.00 60.65 61.70 1n3t s ILE 132 Cb -0.15 -3.57 -0.10 0.00 0.01 0.00 0.00 42.46 38.65 1n3t s ILE 132 CO -0.01 -0.33 1.37 -0.83 0.00 0.00 0.00 174.94 175.14 1n3t s GLY 133 N -2.21 2.65 0.12 6.18 0.00 -1.11 -4.92 107.32 108.03 1n3t s GLY 133 Ca 0.63 1.29 -0.31 0.00 0.00 0.00 0.00 44.72 46.33 1n3t s GLY 133 CO 0.16 2.10 1.58 1.41 0.00 0.00 0.00 173.10 178.36 1n3t h LEU 134 N 4.27 -1.29 -1.67 0.66 3.38 -1.94 -2.08 115.31 116.65 1n3t h LEU 134 Ca -0.47 0.15 0.29 0.00 0.09 0.00 0.00 57.88 57.94 1n3t h LEU 134 Cb 1.22 0.49 -0.04 0.00 0.09 0.00 0.00 40.66 42.43 1n3t h LEU 134 CO 0.72 -0.48 0.94 0.77 0.09 0.00 0.00 178.44 180.47 1n3t h SER 135 N -0.63 0.00 -0.46 -0.43 4.64 -2.01 -0.36 113.55 114.30 1n3t h SER 135 Ca 0.03 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.30 1n3t h SER 135 Cb 0.68 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.75 1n3t h SER 135 CO -0.28 0.00 0.10 0.11 -0.87 0.00 0.00 176.83 175.89 1n3t h LYS 136 N 0.00 0.75 -0.68 4.77 1.79 -1.75 -1.57 116.57 119.88 1n3t h LYS 136 Ca 0.48 -0.18 0.05 0.00 -2.18 0.00 0.00 60.65 58.81 1n3t h LYS 136 Cb 2.35 -0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 32.86 1n3t h LYS 136 CO -0.01 0.74 0.45 0.82 -1.08 0.00 0.00 179.45 180.38 1n3t h ILE 137 N 0.62 1.05 0.11 1.86 2.04 -1.18 0.40 117.51 122.42 1n3t h ILE 137 Ca 0.14 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1n3t h ILE 137 Cb 0.34 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1n3t h ILE 137 CO 0.00 0.14 -0.05 0.78 0.00 0.00 0.00 178.15 179.02 1n3t h ASN 138 N 0.75 -0.13 -0.87 1.72 2.35 -1.52 -2.27 115.58 115.61 1n3t h ASN 138 Ca 0.28 0.00 0.14 0.00 -0.55 0.00 0.00 56.30 56.18 1n3t h ASN 138 Cb 0.17 0.03 -0.15 0.00 0.05 0.00 0.00 38.32 38.42 1n3t h ASN 138 CO -0.09 -0.09 -0.37 0.03 -1.65 0.00 0.00 177.43 175.27 1n3t h ARG 139 N -0.15 -0.05 -0.93 0.81 3.08 -0.85 0.22 114.38 116.51 1n3t h ARG 139 Ca -0.02 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.15 1n3t h ARG 139 Cb 0.11 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.10 1n3t h ARG 139 CO 0.03 -0.03 0.56 0.82 -1.07 0.00 0.00 179.97 180.28 1n3t h ILE 140 N -0.05 0.92 0.37 2.04 2.04 -0.98 0.44 117.51 122.29 1n3t h ILE 140 Ca 0.32 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1n3t h ILE 140 Cb 0.59 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1n3t h ILE 140 CO -0.90 0.17 -0.18 0.58 0.00 0.00 0.00 178.15 177.82 1n3t h VAL 141 N 0.91 0.64 -0.29 1.67 2.07 0.01 -2.55 116.25 118.72 1n3t h VAL 141 Ca 0.45 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.73 1n3t h VAL 141 Cb 0.42 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1n3t h VAL 141 CO -0.26 0.05 0.19 1.56 0.02 0.00 0.00 177.57 179.13 1n3t h GLN 142 N -0.64 0.38 -0.12 1.57 1.08 -0.71 -1.92 115.11 114.76 1n3t h GLN 142 Ca -0.05 -0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.15 1n3t h GLN 142 Cb 0.46 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.78 1n3t h GLN 142 CO 0.08 0.25 -0.04 0.35 -0.95 0.00 0.00 178.83 178.53 1n3t h PHE 143 N 0.39 -0.09 0.00 2.96 3.57 0.24 -1.72 116.94 122.30 1n3t h PHE 143 Ca 0.10 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1n3t h PHE 143 Cb -0.04 0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.76 1n3t h PHE 143 CO 0.00 -0.06 0.00 1.19 -2.23 0.00 0.00 178.31 177.21 1n3t n PHE 144 N -5.17 0.17 0.13 0.41 3.72 -1.01 -3.43 117.46 112.28 1n3t n PHE 144 Ca -0.04 0.05 -0.21 0.00 -0.05 0.00 0.00 57.45 57.20 1n3t n PHE 144 Cb 0.10 -0.59 -0.15 0.00 -0.94 0.00 0.00 39.48 37.90 1n3t n PHE 144 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1n3t h ALA 145 N 2.82 -0.05 0.00 4.37 0.00 -0.55 -3.37 119.26 122.49 1n3t h ALA 145 Ca 0.00 -0.87 -0.65 0.00 0.00 0.00 0.00 54.91 53.39 1n3t h ALA 145 Cb 0.49 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1n3t h ALA 145 CO 0.00 0.82 2.98 1.04 0.00 0.00 0.00 179.25 184.09 1n3t n GLN 146 N -3.63 2.55 -3.43 0.00 1.13 -0.81 -4.22 117.38 108.97 1n3t n GLN 146 Ca -0.13 -2.18 -0.12 0.00 -1.94 0.00 0.00 57.00 52.62 1n3t n GLN 146 Cb 1.07 -3.00 -0.02 0.00 0.11 0.00 0.00 30.24 28.40 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 3.52 1.26 -0.28 -1.09 0.52 -1.09 -1.46 118.95 120.33 1n3t s ARG 147 Ca 0.53 -0.43 -0.29 0.00 -0.52 0.00 0.00 55.73 55.03 1n3t s ARG 147 Cb 0.14 0.58 -0.02 0.00 0.52 0.00 0.00 34.95 36.17 1n3t s ARG 147 CO -0.02 -0.54 1.80 -2.14 0.02 0.00 0.00 175.30 174.41 1n3t s PRO 148 N -3.59 3.45 0.53 3.54 0.02 -1.26 -3.83 135.00 133.85 1n3t s PRO 148 Ca 0.00 1.57 0.03 0.00 0.02 0.00 0.00 61.00 62.62 1n3t s PRO 148 Cb -0.01 -4.18 0.01 0.00 0.02 0.00 0.00 34.50 30.35 1n3t s PRO 148 CO -0.12 -1.72 0.18 -0.65 -0.33 0.00 0.00 177.00 174.36 1n3t s GLN 149 N 5.46 2.22 -0.19 5.54 -1.52 0.22 -4.59 119.66 126.82 1n3t s GLN 149 Ca 0.80 -2.23 -0.04 0.00 -1.95 0.00 0.00 55.36 51.94 1n3t s GLN 149 Cb -0.25 -1.78 0.09 0.00 -0.22 0.00 0.00 33.01 30.85 1n3t s GLN 149 CO 0.33 -0.47 0.25 0.08 -0.25 0.00 0.00 175.29 175.23 1n3t s VAL 150 N -2.83 -0.39 0.21 1.09 1.01 -1.26 -1.12 120.40 117.11 1n3t s VAL 150 Ca 0.18 0.01 -0.21 0.00 0.00 0.00 0.00 61.98 61.97 1n3t s VAL 150 Cb -0.00 -0.62 0.16 0.00 0.00 0.00 0.00 36.38 35.91 1n3t s VAL 150 CO 0.11 -0.09 1.56 -0.61 0.00 0.00 0.00 175.10 176.07 1n3t h GLN 151 N 8.29 -0.06 -1.01 2.72 4.15 -1.98 0.20 115.11 127.42 1n3t h GLN 151 Ca -0.16 0.00 0.28 0.00 0.77 0.00 0.00 58.65 59.54 1n3t h GLN 151 Cb 1.14 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.79 1n3t h GLN 151 CO 0.24 -0.04 0.70 0.93 -1.93 0.00 0.00 178.83 178.73 1n3t h GLU 152 N -0.06 0.13 0.13 1.69 3.07 -1.98 -2.26 114.58 115.29 1n3t h GLU 152 Ca 0.28 -0.01 -0.36 0.00 -0.50 0.00 0.00 59.36 58.78 1n3t h GLU 152 Cb 0.56 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.43 1n3t h GLU 152 CO -0.88 0.08 -1.92 -0.09 -1.40 0.00 0.00 179.01 174.80 1n3t h ARG 153 N 0.13 0.28 -0.16 2.33 2.43 -1.10 -3.25 114.38 115.03 1n3t h ARG 153 Ca 0.50 -0.47 0.05 0.00 -0.81 0.00 0.00 59.98 59.25 1n3t h ARG 153 Cb 1.76 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 31.47 1n3t h ARG 153 CO -0.09 1.23 0.23 1.25 -1.51 0.00 0.00 179.97 181.08 1n3t h LEU 154 N 0.02 0.00 0.08 3.80 5.85 -0.67 0.26 115.31 124.66 1n3t h LEU 154 Ca -0.41 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.08 1n3t h LEU 154 Cb 2.01 0.00 0.02 0.00 0.37 0.00 0.00 40.66 43.06 1n3t h LEU 154 CO 0.09 0.00 -0.95 0.74 -0.34 0.00 0.00 178.44 177.98 1n3t h THR 155 N 0.00 1.37 0.87 1.05 2.02 -1.55 -3.22 112.91 113.46 1n3t h THR 155 Ca 0.08 -2.35 -0.04 0.00 0.77 0.00 0.00 66.41 64.87 1n3t h THR 155 Cb 0.53 2.75 0.00 0.00 -1.74 0.00 0.00 68.15 69.69 1n3t h THR 155 CO -0.00 0.70 -0.46 1.56 0.37 0.00 0.00 175.52 177.68 1n3t h GLN 156 N 0.04 -1.19 -0.90 6.66 1.08 -1.00 -2.41 115.11 117.38 1n3t h GLN 156 Ca -0.14 0.08 0.23 0.00 -1.45 0.00 0.00 58.65 57.37 1n3t h GLN 156 Cb 1.67 0.27 -0.13 0.00 -0.05 0.00 0.00 27.48 29.24 1n3t h GLN 156 CO 0.18 -0.79 0.37 1.96 -0.95 0.00 0.00 178.83 179.60 1n3t h GLN 157 N -1.23 0.33 0.12 1.46 4.20 -1.52 0.08 115.11 118.55 1n3t h GLN 157 Ca -0.12 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 1n3t h GLN 157 Cb 0.96 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.67 1n3t h GLN 157 CO 0.17 0.22 -0.06 0.82 -0.67 0.00 0.00 178.83 179.31 1n3t h ILE 158 N 0.34 0.89 0.06 2.54 2.04 -1.51 -0.62 117.51 121.24 1n3t h ILE 158 Ca 0.57 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 66.40 1n3t h ILE 158 Cb 1.13 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 1n3t h ILE 158 CO -0.57 0.01 -0.28 0.25 0.00 0.00 0.00 178.15 177.57 1n3t h LEU 159 N -0.18 -0.84 -0.24 1.44 5.85 -0.50 -1.56 115.31 119.28 1n3t h LEU 159 Ca -0.02 0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.85 1n3t h LEU 159 Cb 0.14 0.31 -0.08 0.00 0.37 0.00 0.00 40.66 41.41 1n3t h LEU 159 CO 0.03 -0.29 -0.41 0.40 -0.34 0.00 0.00 178.44 177.82 1n3t h ILE 160 N -0.39 0.15 -0.43 4.05 2.04 -1.35 0.75 117.51 122.32 1n3t h ILE 160 Ca -0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 1n3t h ILE 160 Cb 0.40 0.15 -0.09 0.00 -0.74 0.00 0.00 36.82 36.53 1n3t h ILE 160 CO -0.15 0.00 -0.45 0.00 0.00 0.00 0.00 178.15 177.55 1n3t h ALA 161 N 0.27 -0.47 -0.89 1.87 0.00 -1.02 0.17 119.26 119.20 1n3t h ALA 161 Ca 0.10 0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.18 1n3t h ALA 161 Cb 0.60 0.94 -0.08 0.00 0.00 0.00 0.00 17.79 19.25 1n3t h ALA 161 CO -0.46 -0.89 0.52 -0.07 0.00 0.00 0.00 179.25 178.35 1n3t h LEU 162 N -0.32 0.74 0.26 0.00 3.38 -0.47 -0.11 115.31 118.79 1n3t h LEU 162 Ca 0.13 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1n3t h LEU 162 Cb 0.58 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1n3t h LEU 162 CO -0.59 0.40 -0.13 1.56 0.09 0.00 0.00 178.44 179.77 1n3t h GLN 163 N 0.84 -0.34 -0.33 1.13 4.20 0.72 -0.95 115.11 120.38 1n3t h GLN 163 Ca 0.44 0.02 0.07 0.00 0.06 0.00 0.00 58.65 59.25 1n3t h GLN 163 Cb 0.44 0.08 -0.08 0.00 0.30 0.00 0.00 27.48 28.22 1n3t h GLN 163 CO -0.27 -0.15 -0.20 1.15 -0.67 0.00 0.00 178.83 178.69 1n3t h THR 164 N -0.47 0.43 -0.10 -0.54 2.02 0.12 0.33 112.91 114.70 1n3t h THR 164 Ca -0.04 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.06 1n3t h THR 164 Cb 0.36 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1n3t h THR 164 CO 0.06 0.00 -0.32 -0.07 0.37 0.00 0.00 175.52 175.56 1n3t h LEU 165 N -0.16 0.20 0.00 2.58 3.38 -1.03 -3.02 115.31 117.26 1n3t h LEU 165 Ca 0.17 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.94 1n3t h LEU 165 Cb 0.42 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1n3t h LEU 165 CO -0.43 0.52 -0.79 -0.07 0.09 0.00 0.00 178.44 177.77 1n3t h LEU 166 N 0.18 0.00 0.22 1.67 3.38 -0.40 -3.48 115.31 116.88 1n3t h LEU 166 Ca 0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1n3t h LEU 166 Cb 0.66 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1n3t h LEU 166 CO 0.05 0.57 -0.06 0.61 0.09 0.00 0.00 178.44 179.71 1n3t n GLY 167 N 1.28 0.32 3.42 0.83 0.00 0.11 -4.72 105.19 106.42 1n3t n GLY 167 Ca -0.01 -0.78 -0.10 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.18 0.00 -0.16 2.61 2.01 -1.10 -4.92 115.64 111.90 1n3t s THR 168 Ca 0.00 -1.67 0.02 0.00 0.31 0.00 0.00 61.69 60.35 1n3t s THR 168 Cb -0.00 -2.34 0.00 0.00 0.01 0.00 0.00 72.50 70.17 1n3t s THR 168 CO 0.01 0.00 0.40 0.59 -0.69 0.00 0.00 174.62 174.92 1n3t n ASN 169 N -0.35 0.80 -3.70 3.53 3.02 -1.26 -4.41 115.26 112.88 1n3t n ASN 169 Ca 0.00 -0.90 -0.42 0.00 -0.03 0.00 0.00 54.58 53.23 1n3t n ASN 169 Cb 0.64 0.31 -0.00 0.00 -0.61 0.00 0.00 39.78 40.12 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 -0.26 4.22 -4.00 6.41 3.02 -1.26 -0.02 115.26 123.36 1n3t n ASN 170 Ca 0.01 -2.83 -0.19 0.00 -0.03 0.00 0.00 54.58 51.55 1n3t n ASN 170 Cb 0.03 -1.65 -0.15 0.00 -0.61 0.00 0.00 39.78 37.41 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 3.09 0.67 0.01 2.41 1.01 -1.25 -2.00 120.40 124.33 1n3t s VAL 171 Ca 0.48 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 62.17 1n3t s VAL 171 Cb 0.14 -0.57 -0.01 0.00 0.00 0.00 0.00 36.38 35.93 1n3t s VAL 171 CO -0.09 0.20 -0.14 0.00 0.00 0.00 0.00 175.10 175.07 1n3t s ALA 172 N -0.07 1.13 -0.03 5.51 0.00 0.83 -1.23 121.76 127.89 1n3t s ALA 172 Ca 0.01 -0.65 -0.01 0.00 0.00 0.00 0.00 51.96 51.31 1n3t s ALA 172 Cb -0.05 -0.25 0.03 0.00 0.00 0.00 0.00 23.12 22.86 1n3t s ALA 172 CO -0.00 0.26 0.06 0.08 0.00 0.00 0.00 175.76 176.16 1n3t s VAL 173 N -0.48 -0.07 -0.07 0.00 1.01 -1.05 -1.58 120.40 118.16 1n3t s VAL 173 Ca 0.04 0.23 -0.00 0.00 0.00 0.00 0.00 61.98 62.25 1n3t s VAL 173 Cb -0.06 -0.13 0.02 0.00 0.00 0.00 0.00 36.38 36.21 1n3t s VAL 173 CO 0.00 0.09 -0.04 -0.55 0.00 0.00 0.00 175.10 174.61 1n3t s SER 174 N 1.22 1.52 -0.14 3.32 0.15 -0.42 -1.51 113.70 117.83 1n3t s SER 174 Ca -0.08 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.42 1n3t s SER 174 Cb -0.13 -0.55 -0.01 0.00 -1.71 0.00 0.00 66.02 63.62 1n3t s SER 174 CO -0.04 -0.12 -0.15 -0.63 1.20 0.00 0.00 173.24 173.50 1n3t s ILE 175 N 1.50 2.78 -0.15 6.45 1.01 -0.58 -0.13 121.20 132.08 1n3t s ILE 175 Ca -0.01 -0.74 -0.02 0.00 0.00 0.00 0.00 60.65 59.87 1n3t s ILE 175 Cb -0.13 -2.16 -0.02 0.00 0.01 0.00 0.00 42.46 40.15 1n3t s ILE 175 CO -0.04 0.52 -0.07 -0.62 0.00 0.00 0.00 174.94 174.73 1n3t s ASP 176 N 0.61 4.44 0.17 3.58 2.15 -0.30 -1.26 116.67 126.06 1n3t s ASP 176 Ca -0.08 -0.23 -0.23 0.00 0.43 0.00 0.00 52.55 52.43 1n3t s ASP 176 Cb -0.16 -1.71 0.06 0.00 -0.30 0.00 0.00 42.92 40.82 1n3t s ASP 176 CO 0.03 0.15 0.65 0.00 -0.17 0.00 0.00 175.17 175.83 1n3t s ALA 177 N 0.46 -1.55 -0.08 3.66 0.00 0.90 -0.46 121.76 124.69 1n3t s ALA 177 Ca -0.06 0.38 -0.00 0.00 0.00 0.00 0.00 51.96 52.28 1n3t s ALA 177 Cb -0.15 0.84 -0.03 0.00 0.00 0.00 0.00 23.12 23.78 1n3t s ALA 177 CO 0.04 -0.82 -0.04 0.08 0.00 0.00 0.00 175.76 175.02 1n3t s VAL 178 N -3.72 3.96 -0.23 0.00 1.01 0.54 -1.08 120.40 120.89 1n3t s VAL 178 Ca 0.03 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 1n3t s VAL 178 Cb -0.02 -2.64 0.02 0.00 0.00 0.00 0.00 36.38 33.74 1n3t s VAL 178 CO -0.09 0.60 -0.09 -1.00 0.00 0.00 0.00 175.10 174.52 1n3t s HIS 179 N -0.79 2.99 0.26 5.22 3.76 -1.26 0.44 115.29 125.91 1n3t s HIS 179 Ca 0.12 -1.48 0.37 0.00 -0.15 0.00 0.00 55.06 53.92 1n3t s HIS 179 Cb -0.11 -2.03 1.71 0.00 1.11 0.00 0.00 32.58 33.26 1n3t s HIS 179 CO 0.02 -0.72 2.10 1.88 -0.85 0.00 0.00 174.74 177.17 1n3t h TYR 180 N 8.01 0.00 0.00 1.40 -1.99 -1.74 -1.33 116.97 121.32 1n3t h TYR 180 Ca -0.37 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.36 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 0.56 0.00 0.00 -1.13 -0.00 0.00 0.00 178.16 177.59 1n3t n SER 181 N -3.04 0.54 0.00 3.88 3.41 -1.26 -1.22 113.62 115.93 1n3t n SER 181 Ca -0.01 -1.83 0.00 0.00 -0.26 0.00 0.00 58.87 56.77 1n3t n SER 181 Cb 0.22 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 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 -0.18 0.00 -0.11 -3.33 0.31 -0.55 -4.64 118.33 109.82 1n3t n VAL 182 Ca 0.00 -0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.08 1n3t n VAL 182 Cb 0.14 0.10 -0.11 0.00 -0.91 0.00 0.00 33.84 33.05 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 -0.10 0.58 -0.44 5.55 4.81 -0.88 -1.47 118.16 126.23 1n3t n LYS 183 Ca 0.00 0.45 0.08 0.00 -0.87 0.00 0.00 58.31 57.97 1n3t n LYS 183 Cb 0.00 -1.66 0.26 0.00 0.02 0.00 0.00 35.03 33.65 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 -3.66 2.84 -3.48 3.14 0.00 -0.36 -3.02 120.51 115.98 1n3t n ALA 184 Ca -0.40 -1.79 -0.16 0.00 0.00 0.00 0.00 53.44 51.10 1n3t n ALA 184 Cb 0.77 -0.73 -0.07 0.00 0.00 0.00 0.00 19.45 19.42 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 -2.08 0.87 5.24 0.00 3.52 -1.23 -4.92 118.95 120.34 1n3t s ARG 185 Ca 0.40 0.43 0.00 0.00 -0.13 0.00 0.00 55.73 56.42 1n3t s ARG 185 Cb 0.28 0.41 0.00 0.00 -1.56 0.00 0.00 34.95 34.08 1n3t s ARG 185 CO 0.15 -0.21 0.00 0.41 -0.81 0.00 0.00 175.30 174.84 1n3t n GLY 186 N 1.68 1.70 0.12 8.12 0.00 -1.26 -2.86 105.19 112.69 1n3t n GLY 186 Ca -0.17 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 45.87 1n3t n GLY 186 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1n3t h ILE 187 N 0.00 0.00 -6.42 -0.61 2.04 -1.89 -3.48 117.51 107.15 1n3t h ILE 187 Ca 0.00 -0.61 -0.36 0.00 1.00 0.00 0.00 64.86 64.89 1n3t h ILE 187 Cb 0.00 1.54 0.01 0.00 -0.74 0.00 0.00 36.82 37.63 1n3t h ILE 187 CO 0.00 0.00 -1.09 0.54 0.00 0.00 0.00 178.15 177.60 1n3t n ARG 188 N -2.44 -1.91 -3.71 2.37 1.74 -1.14 -4.90 116.66 106.68 1n3t n ARG 188 Ca 0.05 1.40 -0.37 0.00 -0.77 0.00 0.00 57.85 58.16 1n3t n ARG 188 Cb 0.46 -2.57 -0.09 0.00 -1.02 0.00 0.00 32.46 29.23 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 -1.88 5.25 0.65 0.55 -1.08 -0.54 -4.95 116.67 114.67 1n3t s ASP 189 Ca 0.30 -2.87 0.28 0.00 -0.52 0.00 0.00 52.55 49.74 1n3t s ASP 189 Cb -0.04 -1.86 1.49 0.00 -1.46 0.00 0.00 42.92 41.06 1n3t s ASP 189 CO 0.87 -0.37 1.86 0.00 0.52 0.00 0.00 175.17 178.05 1n3t h ALA 190 N 7.02 1.60 0.00 3.66 0.00 -1.86 -3.19 119.26 126.49 1n3t h ALA 190 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1n3t h ALA 190 Cb 0.95 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1n3t h ALA 190 CO 0.71 -0.48 -0.35 0.25 0.00 0.00 0.00 179.25 179.39 1n3t n THR 191 N -3.08 0.00 -1.52 0.00 -2.24 -1.26 -5.07 114.28 101.10 1n3t n THR 191 Ca 0.01 -0.35 -0.30 0.00 -2.27 0.00 0.00 64.05 61.14 1n3t n THR 191 Cb 0.50 0.86 0.08 0.00 -2.10 0.00 0.00 70.33 69.66 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 -1.46 4.77 0.10 3.42 1.04 -1.21 -5.09 113.70 115.28 1n3t s SER 192 Ca 0.00 1.47 -0.19 0.00 0.48 0.00 0.00 55.95 57.72 1n3t s SER 192 Cb 0.01 -2.25 0.04 0.00 0.10 0.00 0.00 66.02 63.92 1n3t s SER 192 CO 0.08 -1.81 0.46 0.00 0.98 0.00 0.00 173.24 172.95 1n3t s ALA 193 N -3.08 -1.14 0.03 5.32 0.00 -1.26 -4.89 121.76 116.74 1n3t s ALA 193 Ca 0.60 0.25 0.05 0.00 0.00 0.00 0.00 51.96 52.86 1n3t s ALA 193 Cb -0.15 0.59 -0.03 0.00 0.00 0.00 0.00 23.12 23.53 1n3t s ALA 193 CO 0.55 -0.60 -0.12 0.99 0.00 0.00 0.00 175.76 176.58 1n3t s THR 194 N -3.23 3.23 -0.05 0.00 2.01 -0.24 -4.96 115.64 112.40 1n3t s THR 194 Ca -0.01 -0.99 0.01 0.00 0.31 0.00 0.00 61.69 61.01 1n3t s THR 194 Cb 0.00 -2.39 0.02 0.00 0.01 0.00 0.00 72.50 70.14 1n3t s THR 194 CO -0.08 0.35 -0.07 -0.89 -0.69 0.00 0.00 174.62 173.24 1n3t s THR 195 N -0.98 0.74 0.05 -0.82 2.01 -1.26 -0.07 115.64 115.31 1n3t s THR 195 Ca 0.16 -0.23 0.05 0.00 0.31 0.00 0.00 61.69 61.98 1n3t s THR 195 Cb -0.11 -0.73 -0.02 0.00 0.01 0.00 0.00 72.50 71.65 1n3t s THR 195 CO 0.07 0.27 -0.14 0.42 -0.69 0.00 0.00 174.62 174.55 1n3t s THR 196 N 0.91 1.09 0.02 -0.82 -4.23 -0.39 -5.01 115.64 107.21 1n3t s THR 196 Ca -0.11 -1.06 -0.02 0.00 -1.18 0.00 0.00 61.69 59.33 1n3t s THR 196 Cb -0.15 -1.00 -0.02 0.00 1.34 0.00 0.00 72.50 72.67 1n3t s THR 196 CO 0.01 -0.05 0.01 0.42 -0.54 0.00 0.00 174.62 174.47 1n3t s THR 197 N -0.94 0.11 -0.20 3.99 -4.23 -1.26 -1.52 115.64 111.58 1n3t s THR 197 Ca 0.01 -0.88 -0.03 0.00 -1.18 0.00 0.00 61.69 59.61 1n3t s THR 197 Cb -0.08 -0.33 0.06 0.00 1.34 0.00 0.00 72.50 73.49 1n3t s THR 197 CO 0.01 -0.48 0.04 -0.44 -0.54 0.00 0.00 174.62 173.22 1n3t s SER 198 N -1.48 2.93 -0.16 3.99 0.01 -0.57 -5.03 113.70 113.39 1n3t s SER 198 Ca -0.15 -0.85 -0.09 0.00 1.31 0.00 0.00 55.95 56.16 1n3t s SER 198 Cb -0.09 -0.57 -0.05 0.00 0.21 0.00 0.00 66.02 65.52 1n3t s SER 198 CO -0.01 -0.32 0.15 -0.76 0.41 0.00 0.00 173.24 172.72 1n3t s LEU 199 N 1.88 4.29 0.30 2.44 1.43 -1.26 -2.51 118.68 125.24 1n3t s LEU 199 Ca -0.00 0.36 0.11 0.00 -1.03 0.00 0.00 54.13 53.56 1n3t s LEU 199 Cb -0.17 -2.11 -0.06 0.00 0.03 0.00 0.00 46.19 43.88 1n3t s LEU 199 CO -0.09 0.27 -0.16 -0.83 0.23 0.00 0.00 176.35 175.76 1n3t s GLY 200 N -0.20 1.97 0.00 -3.19 0.00 -0.37 -4.62 107.32 100.92 1n3t s GLY 200 Ca 0.12 -1.94 0.00 0.00 0.00 0.00 0.00 44.72 42.89 1n3t s GLY 200 CO 0.01 -1.98 0.00 0.61 0.00 0.00 0.00 173.10 171.74 1n3t n GLY 201 N -0.67 1.77 0.40 0.20 0.00 0.97 -1.24 105.19 106.63 1n3t n GLY 201 Ca -0.05 -0.25 0.22 0.00 0.00 0.00 0.00 46.02 45.94 1n3t n GLY 201 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n3t h LEU 202 N 0.00 0.00 -0.57 0.99 3.38 -1.93 0.56 115.31 117.73 1n3t h LEU 202 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1n3t h LEU 202 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1n3t h LEU 202 CO 0.00 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.02 1n3t n PHE 203 N -3.95 0.58 -0.04 1.13 3.72 -0.37 -0.85 117.46 117.67 1n3t n PHE 203 Ca 0.10 0.24 -0.04 0.00 -0.05 0.00 0.00 57.45 57.70 1n3t n PHE 203 Cb 0.69 -0.88 -0.08 0.00 -0.94 0.00 0.00 39.48 38.28 1n3t n PHE 203 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1n3t n LYS 204 N -2.03 2.18 -0.07 -1.08 4.81 0.19 -4.15 118.16 118.00 1n3t n LYS 204 Ca 0.02 -0.01 -0.18 0.00 -0.87 0.00 0.00 58.31 57.26 1n3t n LYS 204 Cb 0.19 -1.25 -0.13 0.00 0.02 0.00 0.00 35.03 33.85 1n3t n LYS 204 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1n3t n SER 205 N -2.31 1.88 -4.50 3.14 3.41 -0.64 -4.87 113.62 109.72 1n3t n SER 205 Ca -0.14 0.03 -0.43 0.00 -0.26 0.00 0.00 58.87 58.07 1n3t n SER 205 Cb 0.76 -0.49 -0.04 0.00 -0.26 0.00 0.00 64.21 64.18 1n3t n SER 205 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1n3t s SER 206 N -6.65 6.26 0.27 4.04 0.15 -0.03 -4.93 113.70 112.82 1n3t s SER 206 Ca -0.27 -0.58 -0.08 0.00 0.70 0.00 0.00 55.95 55.72 1n3t s SER 206 Cb 0.08 -2.45 0.46 0.00 -1.71 0.00 0.00 66.02 62.40 1n3t s SER 206 CO 0.69 -1.41 1.58 -0.61 1.20 0.00 0.00 173.24 174.69 1n3t h GLN 207 N 9.53 0.01 0.47 5.44 5.75 -1.89 0.50 115.11 134.91 1n3t h GLN 207 Ca -0.27 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.21 1n3t h GLN 207 Cb 1.07 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.60 1n3t h GLN 207 CO 1.16 0.01 -0.46 -0.97 -2.65 0.00 0.00 178.83 175.91 1n3t h ASN 208 N 0.01 -1.25 -0.71 -0.69 -1.24 -1.93 -2.73 115.58 107.04 1n3t h ASN 208 Ca 0.46 0.10 0.11 0.00 0.71 0.00 0.00 56.30 57.68 1n3t h ASN 208 Cb 0.75 0.41 -0.08 0.00 0.73 0.00 0.00 38.32 40.14 1n3t h ASN 208 CO -0.92 -0.61 0.32 0.74 -1.29 0.00 0.00 177.43 175.67 1n3t h THR 209 N -0.93 0.78 0.00 -3.57 2.02 -1.45 -1.73 112.91 108.03 1n3t h THR 209 Ca -0.06 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1n3t h THR 209 Cb 0.80 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 1n3t h THR 209 CO -0.05 0.10 0.00 -1.14 0.37 0.00 0.00 175.52 174.80 1n3t n ARG 210 N -4.92 0.00 -0.27 6.66 0.63 0.03 -2.37 116.66 116.42 1n3t n ARG 210 Ca 0.12 0.70 0.05 0.00 -0.92 0.00 0.00 57.85 57.80 1n3t n ARG 210 Cb 0.32 -1.43 0.19 0.00 0.45 0.00 0.00 32.46 31.99 1n3t n ARG 210 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1n3t h HIS 211 N 0.00 0.68 -1.09 -0.14 3.86 -1.37 0.25 115.15 117.32 1n3t h HIS 211 Ca 0.00 0.03 0.30 0.00 -1.16 0.00 0.00 60.37 59.55 1n3t h HIS 211 Cb 0.00 -0.18 -0.07 0.00 1.06 0.00 0.00 27.41 28.22 1n3t h HIS 211 CO -0.34 0.17 0.75 0.93 0.86 0.00 0.00 177.93 180.30 1n3t h GLU 212 N 0.58 0.17 0.02 2.45 5.08 -1.15 0.26 114.58 121.99 1n3t h GLU 212 Ca 0.42 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.77 1n3t h GLU 212 Cb 0.57 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1n3t h GLU 212 CO -0.35 0.11 -0.01 0.35 -1.00 0.00 0.00 179.01 178.12 1n3t h PHE 213 N 0.18 -0.03 -0.95 4.33 3.57 -0.17 -3.32 116.94 120.56 1n3t h PHE 213 Ca 0.57 -0.00 0.26 0.00 3.53 0.00 0.00 57.97 62.33 1n3t h PHE 213 Cb 1.88 0.01 -0.14 0.00 2.79 0.00 0.00 35.95 40.49 1n3t h PHE 213 CO -0.00 -0.02 0.47 -0.07 -2.23 0.00 0.00 178.31 176.46 1n3t h LEU 214 N -0.68 0.40 -1.44 0.59 3.38 -0.77 0.33 115.31 117.11 1n3t h LEU 214 Ca -0.00 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1n3t h LEU 214 Cb 0.02 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1n3t h LEU 214 CO 0.00 -0.05 0.24 -0.09 0.09 0.00 0.00 178.44 178.63 1n3t h ARG 215 N 0.38 0.61 -0.83 1.13 2.43 -1.12 -1.79 114.38 115.19 1n3t h ARG 215 Ca 0.64 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 59.62 1n3t h ARG 215 Cb 1.31 -0.13 -0.08 0.00 -0.42 0.00 0.00 29.97 30.66 1n3t h ARG 215 CO -0.57 0.46 0.16 0.00 -1.51 0.00 0.00 179.97 178.52 1n3t n ALA 216 N -2.47 3.83 -2.66 2.80 0.00 0.09 -4.87 120.51 117.24 1n3t n ALA 216 Ca 0.03 -1.48 -0.34 0.00 0.00 0.00 0.00 53.44 51.65 1n3t n ALA 216 Cb 0.10 -1.16 -0.10 0.00 0.00 0.00 0.00 19.45 18.29 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 -2.14 4.07 0.00 0.00 1.01 -0.68 -4.83 120.40 117.84 1n3t s VAL 217 Ca 0.36 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.00 1n3t s VAL 217 Cb 0.29 -2.70 0.00 0.00 0.00 0.00 0.00 36.38 33.97 1n3t s VAL 217 CO 0.09 0.60 0.00 -1.14 0.00 0.00 0.00 175.10 174.65 1n3t n ARG 218 N 2.23 0.00 -4.27 2.72 0.00 -1.26 -5.04 116.66 111.04 1n3t n ARG 218 Ca -0.18 0.45 -0.21 0.00 -0.00 0.00 0.00 57.85 57.91 1n3t n ARG 218 Cb 0.53 -1.26 -0.12 0.00 0.00 0.00 0.00 32.46 31.62 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 -0.73 1.60 -0.16 -0.14 3.76 -1.26 -5.15 115.29 113.21 1n3t s HIS 219 Ca 0.00 -0.49 0.01 0.00 -0.15 0.00 0.00 55.06 54.43 1n3t s HIS 219 Cb 0.00 -0.84 0.02 0.00 1.11 0.00 0.00 32.58 32.87 1n3t s HIS 219 CO 0.00 0.21 -0.18 -1.58 -0.85 0.00 0.00 174.74 172.34 1n3t s HIS 220 N -1.79 2.47 0.00 1.40 2.46 -1.26 -4.90 115.29 113.67 1n3t s HIS 220 Ca 0.09 -1.40 0.00 0.00 0.47 0.00 0.00 55.06 54.22 1n3t s HIS 220 Cb -0.07 -1.75 0.00 0.00 -0.13 0.00 0.00 32.58 30.63 1n3t s HIS 220 CO 0.04 -0.71 0.00 0.09 -2.47 0.00 0.00 174.74 171.69