#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n3t n SER 2 N 0.00 0.00 0.00 3.54 2.88 -1.26 -5.15 113.62 113.63 1n3t n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1n3t n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1n3t n SER 2 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1n3t n LEU 3 N 0.00 0.00 -3.90 2.46 4.77 -1.26 -5.02 117.00 114.05 1n3t n LEU 3 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 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 -0.30 -0.55 -1.33 0.00 0.00 177.39 175.21 1n3t s SER 4 N 1.00 0.06 0.22 -1.43 0.15 -1.26 -5.01 113.70 107.43 1n3t s SER 4 Ca 0.00 -0.16 -0.07 0.00 0.70 0.00 0.00 55.95 56.42 1n3t s SER 4 Cb 0.00 0.12 0.32 0.00 -1.71 0.00 0.00 66.02 64.75 1n3t s SER 4 CO 0.00 -0.18 1.78 0.11 1.20 0.00 0.00 173.24 176.15 1n3t h LYS 5 N 5.26 0.56 -0.08 5.44 1.57 -2.02 0.10 116.57 127.41 1n3t h LYS 5 Ca -0.28 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.45 1n3t h LYS 5 Cb 1.21 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.39 1n3t h LYS 5 CO 0.44 0.37 0.01 0.93 -0.57 0.00 0.00 179.45 180.63 1n3t h GLU 6 N 0.58 0.13 -0.89 3.15 3.07 -1.98 -2.23 114.58 116.40 1n3t h GLU 6 Ca 0.34 -0.04 0.07 0.00 -0.50 0.00 0.00 59.36 59.23 1n3t h GLU 6 Cb 0.36 -0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 28.19 1n3t h GLU 6 CO -0.27 0.37 0.55 0.00 -1.40 0.00 0.00 179.01 178.27 1n3t h ALA 7 N 0.75 1.24 0.63 3.43 0.00 -1.78 -1.79 119.26 121.74 1n3t h ALA 7 Ca 0.02 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1n3t h ALA 7 Cb 0.31 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1n3t h ALA 7 CO 0.00 0.28 -0.32 0.00 0.00 0.00 0.00 179.25 179.21 1n3t h ALA 8 N 1.43 -1.22 -0.75 0.00 0.00 -0.70 -2.03 119.26 115.99 1n3t h ALA 8 Ca 0.40 -0.19 0.17 0.00 0.00 0.00 0.00 54.91 55.29 1n3t h ALA 8 Cb 0.22 0.37 -0.13 0.00 0.00 0.00 0.00 17.79 18.24 1n3t h ALA 8 CO -0.19 -1.16 -0.03 -0.07 0.00 0.00 0.00 179.25 177.80 1n3t h LEU 9 N -0.87 -0.41 -0.53 0.00 3.38 -1.22 -0.72 115.31 114.95 1n3t h LEU 9 Ca -0.09 0.20 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 1n3t h LEU 9 Cb 0.67 0.36 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1n3t h LEU 9 CO 0.13 -0.19 0.14 0.58 0.09 0.00 0.00 178.44 179.19 1n3t h VAL 10 N 0.08 1.24 0.38 1.22 2.07 -1.33 -0.56 116.25 119.35 1n3t h VAL 10 Ca 0.40 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 1n3t h VAL 10 Cb 0.69 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1n3t h VAL 10 CO -0.68 0.31 -0.18 -0.74 0.02 0.00 0.00 177.57 176.30 1n3t h HIS 11 N 0.73 -0.47 -0.19 1.57 -0.00 -0.53 -2.32 115.15 113.96 1n3t h HIS 11 Ca 0.17 -0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.58 1n3t h HIS 11 Cb 0.32 0.15 -0.06 0.00 -0.00 0.00 0.00 27.41 27.82 1n3t h HIS 11 CO 0.02 -0.19 -0.25 0.93 -0.00 0.00 0.00 177.93 178.45 1n3t h GLU 12 N -0.69 -0.27 -0.80 5.26 5.08 -1.16 -0.82 114.58 121.18 1n3t h GLU 12 Ca -0.05 0.02 0.18 0.00 -1.00 0.00 0.00 59.36 58.51 1n3t h GLU 12 Cb 0.49 0.06 -0.14 0.00 0.50 0.00 0.00 28.75 29.66 1n3t h GLU 12 CO 0.08 -0.18 -0.01 0.00 -1.00 0.00 0.00 179.01 177.90 1n3t h ALA 13 N 0.71 0.81 -0.23 3.43 0.00 -1.01 -0.18 119.26 122.78 1n3t h ALA 13 Ca 0.12 0.26 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 1n3t h ALA 13 Cb 0.46 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1n3t h ALA 13 CO -0.35 -0.44 -0.00 -0.07 0.00 0.00 0.00 179.25 178.39 1n3t h LEU 14 N 0.08 0.40 -0.86 0.00 3.38 -0.76 -3.01 115.31 114.54 1n3t h LEU 14 Ca 0.44 -0.31 0.09 0.00 0.09 0.00 0.00 57.88 58.19 1n3t h LEU 14 Cb 0.78 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.35 1n3t h LEU 14 CO -0.72 0.61 0.51 0.58 0.09 0.00 0.00 178.44 179.51 1n3t h VAL 15 N 0.18 0.95 -0.90 1.22 2.07 0.26 -1.44 116.25 118.58 1n3t h VAL 15 Ca 0.07 -0.30 0.04 0.00 0.82 0.00 0.00 66.70 67.32 1n3t h VAL 15 Cb 0.41 -0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.12 1n3t h VAL 15 CO 0.01 0.16 0.59 0.00 0.02 0.00 0.00 177.57 178.35 1n3t h ALA 16 N 1.45 1.43 -0.54 1.67 0.00 -0.99 -1.85 119.26 120.44 1n3t h ALA 16 Ca 0.41 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1n3t h ALA 16 Cb 0.33 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1n3t h ALA 16 CO -0.23 0.48 0.00 -2.13 0.00 0.00 0.00 179.25 177.37 1n3t n ARG 17 N -4.45 3.18 -3.76 0.00 0.63 -0.78 -4.93 116.66 106.55 1n3t n ARG 17 Ca 0.12 -2.33 -0.29 0.00 -0.92 0.00 0.00 57.85 54.43 1n3t n ARG 17 Cb 0.11 -1.76 0.02 0.00 0.45 0.00 0.00 32.46 31.28 1n3t n ARG 17 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1n3t n GLY 18 N 1.03 -0.50 0.43 5.14 0.00 -0.70 -4.86 105.19 105.74 1n3t n GLY 18 Ca 0.21 0.17 0.05 0.00 0.00 0.00 0.00 46.02 46.45 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 -4.46 2.77 -4.83 0.99 4.77 -0.61 -5.01 117.00 110.62 1n3t n LEU 19 Ca 0.02 -2.35 -0.33 0.00 -0.03 0.00 0.00 56.01 53.33 1n3t n LEU 19 Cb 0.53 -0.25 -0.06 0.00 -2.33 0.00 0.00 43.42 41.31 1n3t n LEU 19 CO 0.69 0.65 0.64 -0.70 -1.33 0.00 0.00 177.39 177.35 1n3t s GLU 20 N -1.61 4.13 0.15 3.23 -6.30 -1.24 -4.77 118.70 112.30 1n3t s GLU 20 Ca 0.21 1.04 -0.31 0.00 -2.50 0.00 0.00 54.97 53.41 1n3t s GLU 20 Cb 0.15 -2.19 -0.09 0.00 0.00 0.00 0.00 34.13 32.00 1n3t s GLU 20 CO 0.08 -0.08 1.45 0.99 0.02 0.00 0.00 175.26 177.72 1n3t s THR 21 N -2.29 2.99 -0.65 -1.70 2.01 -1.26 -4.85 115.64 109.89 1n3t s THR 21 Ca 0.60 0.73 -0.30 0.00 0.31 0.00 0.00 61.69 63.04 1n3t s THR 21 Cb -0.09 -3.47 -0.14 0.00 0.01 0.00 0.00 72.50 68.81 1n3t s THR 21 CO 0.18 0.07 2.47 -2.65 -0.69 0.00 0.00 174.62 174.01 1n3t n PRO 22 N 3.67 0.65 0.00 4.92 -0.02 -1.26 -4.92 135.00 138.05 1n3t n PRO 22 Ca 0.11 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1n3t n PRO 22 Cb 0.41 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 1n3t n PRO 22 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1n3t n LEU 23 N 12.61 0.00 -3.56 2.45 4.32 -1.26 -5.19 117.00 126.37 1n3t n LEU 23 Ca 0.49 0.00 -0.15 0.00 -0.02 0.00 0.00 56.01 56.33 1n3t n LEU 23 Cb 0.28 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.03 1n3t n LEU 23 CO 0.81 0.00 0.54 -0.60 -1.22 0.00 0.00 177.39 176.92 1n3t s ARG 24 N 1.05 0.88 0.05 3.23 3.52 -1.26 -5.14 118.95 121.28 1n3t s ARG 24 Ca 0.00 0.34 -0.34 0.00 -0.13 0.00 0.00 55.73 55.60 1n3t s ARG 24 Cb 0.00 0.42 -0.13 0.00 -1.56 0.00 0.00 34.95 33.68 1n3t s ARG 24 CO 0.00 -0.25 1.73 -2.30 -0.81 0.00 0.00 175.30 173.67 1n3t n PRO 25 N 1.15 2.21 0.31 5.12 -0.02 -1.26 -4.81 135.00 137.71 1n3t n PRO 25 Ca -0.16 0.80 0.16 0.00 -2.02 0.00 0.00 63.50 62.29 1n3t n PRO 25 Cb 0.57 -2.62 0.84 0.00 -0.02 0.00 0.00 33.50 32.27 1n3t n PRO 25 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1n3t h PRO 26 N 7.53 0.00 0.00 0.52 0.11 -2.05 -3.46 132.00 134.66 1n3t h PRO 26 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1n3t h PRO 26 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1n3t h PRO 26 CO 0.92 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 178.99 1n3t n VAL 27 N -2.98 0.00 -3.73 3.15 0.31 -1.26 -4.59 118.33 109.23 1n3t n VAL 27 Ca -0.01 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.95 1n3t n VAL 27 Cb 0.38 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.21 1n3t n VAL 27 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1n3t s HIS 28 N 0.00 3.23 -0.90 3.52 5.65 -1.26 -5.01 115.29 120.51 1n3t s HIS 28 Ca 0.00 0.03 -0.26 0.00 0.25 0.00 0.00 55.06 55.09 1n3t s HIS 28 Cb 0.00 -2.25 -0.13 0.00 -1.18 0.00 0.00 32.58 29.02 1n3t s HIS 28 CO 0.00 -0.06 2.21 -1.21 -0.65 0.00 0.00 174.74 175.03 1n3t s GLU 29 N 1.21 1.81 0.15 2.88 2.02 -1.26 -4.92 118.70 120.58 1n3t s GLU 29 Ca 0.06 0.01 -0.31 0.00 0.02 0.00 0.00 54.97 54.75 1n3t s GLU 29 Cb -0.14 -4.92 -0.10 0.00 0.10 0.00 0.00 34.13 29.07 1n3t s GLU 29 CO 0.05 -4.37 1.56 1.41 0.02 0.00 0.00 175.26 173.94 1n3t s MET 30 N 8.19 4.22 -0.01 1.61 -2.45 -1.26 -4.89 119.30 124.71 1n3t s MET 30 Ca 0.83 2.33 -0.38 0.00 -1.25 0.00 0.00 55.69 57.22 1n3t s MET 30 Cb -0.09 -3.23 -0.17 0.00 1.25 0.00 0.00 34.83 32.59 1n3t s MET 30 CO 0.08 -0.61 1.36 -3.47 1.05 0.00 0.00 175.02 173.43 1n3t n ASP 31 N 4.22 1.42 -0.27 1.11 2.03 -1.26 -4.85 116.55 118.95 1n3t n ASP 31 Ca 0.14 1.12 0.14 0.00 0.52 0.00 0.00 54.79 56.72 1n3t n ASP 31 Cb 0.39 -1.12 0.41 0.00 -0.72 0.00 0.00 41.12 40.09 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 4.68 0.59 1.34 1.67 -1.24 -2.02 0.85 115.58 121.46 1n3t h ASN 32 Ca -0.48 0.05 -0.05 0.00 0.71 0.00 0.00 56.30 56.53 1n3t h ASN 32 Cb 1.35 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 40.33 1n3t h ASN 32 CO 0.79 0.27 -0.24 -0.33 -1.29 0.00 0.00 177.43 176.62 1n3t h GLU 33 N 0.61 0.00 -0.30 6.67 5.08 -2.01 -3.02 114.58 121.62 1n3t h GLU 33 Ca 0.47 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.74 1n3t h GLU 33 Cb 0.89 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1n3t h GLU 33 CO -0.22 0.24 -0.21 1.15 -1.00 0.00 0.00 179.01 178.98 1n3t h THR 34 N 0.00 1.26 0.03 1.13 2.02 -1.17 -2.51 112.91 113.66 1n3t h THR 34 Ca -0.00 -1.21 -0.00 0.00 0.77 0.00 0.00 66.41 65.96 1n3t h THR 34 Cb 0.98 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.65 1n3t h THR 34 CO 0.03 0.39 -0.01 0.03 0.37 0.00 0.00 175.52 176.33 1n3t h ARG 35 N 0.49 -0.03 -0.75 6.66 3.08 -1.38 -2.55 114.38 119.89 1n3t h ARG 35 Ca 0.08 0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.28 1n3t h ARG 35 Cb 0.63 0.01 -0.10 0.00 0.08 0.00 0.00 29.97 30.59 1n3t h ARG 35 CO 0.04 0.46 0.27 0.87 -1.07 0.00 0.00 179.97 180.54 1n3t h LYS 36 N -0.54 0.38 -0.13 0.04 1.57 -1.47 0.61 116.57 117.04 1n3t h LYS 36 Ca -0.00 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 1n3t h LYS 36 Cb 0.50 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1n3t h LYS 36 CO 0.01 0.25 -0.40 0.66 -0.57 0.00 0.00 179.45 179.40 1n3t h SER 37 N 0.39 0.30 0.05 0.86 4.64 -1.47 0.16 113.55 118.49 1n3t h SER 37 Ca 0.41 -0.13 -0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1n3t h SER 37 Cb 0.65 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1n3t h SER 37 CO -0.43 0.68 -0.03 -0.07 -0.87 0.00 0.00 176.83 176.11 1n3t h LEU 38 N 0.24 -0.06 -0.52 5.97 3.38 -0.24 -1.64 115.31 122.44 1n3t h LEU 38 Ca 0.02 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1n3t h LEU 38 Cb 0.81 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 1n3t h LEU 38 CO 0.06 0.25 0.33 0.40 0.09 0.00 0.00 178.44 179.57 1n3t h ILE 39 N -0.38 1.14 -0.70 1.22 2.04 0.17 -1.98 117.51 119.03 1n3t h ILE 39 Ca -0.01 -0.29 0.08 0.00 1.00 0.00 0.00 64.86 65.64 1n3t h ILE 39 Cb 0.34 0.41 -0.06 0.00 -0.74 0.00 0.00 36.82 36.76 1n3t h ILE 39 CO 0.01 0.14 0.36 0.00 0.00 0.00 0.00 178.15 178.67 1n3t h ALA 40 N 1.17 0.95 -0.40 1.87 0.00 -0.62 -1.14 119.26 121.09 1n3t h ALA 40 Ca 0.19 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.21 1n3t h ALA 40 Cb -0.05 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 1n3t h ALA 40 CO -0.04 -0.01 0.01 0.78 0.00 0.00 0.00 179.25 180.00 1n3t h GLY 41 N 0.64 0.41 1.38 0.00 0.00 -0.58 0.56 103.07 105.48 1n3t h GLY 41 Ca 0.33 0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.69 1n3t h GLY 41 CO -0.23 -0.09 0.35 0.45 0.00 0.00 0.00 176.54 177.02 1n3t h HIS 42 N 0.12 0.80 -0.22 5.60 -0.00 -0.71 -0.90 115.15 119.84 1n3t h HIS 42 Ca 0.19 -0.00 -0.15 0.00 -0.00 0.00 0.00 60.37 60.41 1n3t h HIS 42 Cb 0.27 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 27.41 1n3t h HIS 42 CO -0.26 0.54 -0.48 0.52 -0.00 0.00 0.00 177.93 178.25 1n3t h MET 43 N 0.83 0.58 -0.34 2.45 2.86 0.13 -1.49 114.93 119.96 1n3t h MET 43 Ca 0.22 -0.34 0.06 0.00 -2.06 0.00 0.00 59.70 57.58 1n3t h MET 43 Cb -0.02 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1n3t h MET 43 CO -0.04 0.94 0.23 1.15 1.06 0.00 0.00 176.91 180.25 1n3t h THR 44 N 0.46 0.93 0.04 2.22 2.02 0.14 -2.06 112.91 116.66 1n3t h THR 44 Ca 0.02 -0.07 -0.06 0.00 0.77 0.00 0.00 66.41 67.08 1n3t h THR 44 Cb 1.02 0.72 0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1n3t h THR 44 CO 0.09 0.04 -0.26 -0.33 0.37 0.00 0.00 175.52 175.43 1n3t h GLU 45 N 0.20 0.08 -0.19 6.66 4.39 -0.81 -3.22 114.58 121.68 1n3t h GLU 45 Ca 0.15 -0.14 0.06 0.00 0.34 0.00 0.00 59.36 59.77 1n3t h GLU 45 Cb 0.35 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1n3t h GLU 45 CO -0.03 1.07 0.14 0.82 -1.16 0.00 0.00 179.01 179.85 1n3t h ILE 46 N -0.82 0.90 -0.16 3.13 2.04 -1.08 -1.23 117.51 120.30 1n3t h ILE 46 Ca -0.05 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.64 1n3t h ILE 46 Cb 1.19 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 38.17 1n3t h ILE 46 CO 0.04 0.00 -0.62 0.24 0.00 0.00 0.00 178.15 177.81 1n3t h MET 47 N 0.00 0.55 -0.04 2.37 2.86 -1.48 -3.03 114.93 116.15 1n3t h MET 47 Ca 0.09 -0.38 -0.16 0.00 -2.06 0.00 0.00 59.70 57.20 1n3t h MET 47 Cb 0.37 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 1n3t h MET 47 CO -0.00 1.00 -0.68 1.96 1.06 0.00 0.00 176.91 180.24 1n3t h GLN 48 N 0.40 0.19 0.00 1.72 4.20 -1.28 -2.08 115.11 118.27 1n3t h GLN 48 Ca -0.01 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.55 1n3t h GLN 48 Cb 1.18 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.99 1n3t h GLN 48 CO 0.12 0.80 0.00 1.28 -0.67 0.00 0.00 178.83 180.35 1n3t n LEU 49 N -3.80 0.00 -0.23 1.46 4.77 -0.57 -0.75 117.00 117.88 1n3t n LEU 49 Ca -0.02 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.99 1n3t n LEU 49 Cb 0.67 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.78 1n3t n LEU 49 CO 0.45 0.00 0.29 0.18 -1.33 0.00 0.00 177.39 176.98 1n3t n LEU 50 N -0.94 1.35 -2.00 2.23 4.77 -0.90 -4.98 117.00 116.54 1n3t n LEU 50 Ca 0.13 -0.91 -0.11 0.00 -0.03 0.00 0.00 56.01 55.09 1n3t n LEU 50 Cb 0.06 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.19 1n3t n LEU 50 CO 0.10 0.28 0.10 0.59 -1.33 0.00 0.00 177.39 177.13 1n3t n ASN 51 N 0.12 -3.64 -4.70 -1.43 3.02 0.07 -5.02 115.26 103.68 1n3t n ASN 51 Ca 0.04 -0.26 -0.36 0.00 -0.03 0.00 0.00 54.58 53.96 1n3t n ASN 51 Cb 0.16 -2.65 -0.08 0.00 -0.61 0.00 0.00 39.78 36.60 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 -3.99 4.19 -0.89 3.41 1.43 -0.83 -5.01 118.68 116.99 1n3t s LEU 52 Ca 0.22 0.35 -0.25 0.00 -1.03 0.00 0.00 54.13 53.42 1n3t s LEU 52 Cb -0.10 -2.27 -0.02 0.00 0.03 0.00 0.00 46.19 43.83 1n3t s LEU 52 CO 0.34 0.08 1.83 -0.62 0.23 0.00 0.00 176.35 178.21 1n3t s ASP 53 N 0.69 5.43 0.00 2.29 2.15 -1.26 -4.59 116.67 121.39 1n3t s ASP 53 Ca 0.13 -0.70 0.00 0.00 0.43 0.00 0.00 52.55 52.41 1n3t s ASP 53 Cb -0.13 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 39.93 1n3t s ASP 53 CO 0.03 -2.46 0.29 0.18 -0.17 0.00 0.00 175.17 173.05 1n3t n LEU 54 N 12.80 0.38 -0.04 -1.34 4.77 -1.26 -1.76 117.00 130.55 1n3t n LEU 54 Ca 0.36 -0.19 -0.11 0.00 -0.03 0.00 0.00 56.01 56.03 1n3t n LEU 54 Cb 0.48 -0.19 -0.14 0.00 -2.33 0.00 0.00 43.42 41.24 1n3t n LEU 54 CO 0.62 0.09 -0.72 0.00 -1.33 0.00 0.00 177.39 176.06 1n3t n ALA 55 N 0.10 1.39 -1.65 -1.18 0.00 -1.26 -4.45 120.51 113.46 1n3t n ALA 55 Ca 0.00 -0.85 -0.48 0.00 0.00 0.00 0.00 53.44 52.11 1n3t n ALA 55 Cb 0.09 -0.67 -0.05 0.00 0.00 0.00 0.00 19.45 18.83 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 -3.08 2.73 0.05 0.00 2.03 -0.72 -4.81 116.55 112.74 1n3t n ASP 56 Ca -0.24 1.09 0.02 0.00 0.52 0.00 0.00 54.79 56.19 1n3t n ASP 56 Cb 1.07 -1.37 0.13 0.00 -0.72 0.00 0.00 41.12 40.23 1n3t n ASP 56 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1n3t n ASP 57 N 3.21 0.12 -0.02 1.67 8.00 -1.26 -1.66 116.55 126.62 1n3t n ASP 57 Ca 0.17 0.44 -0.02 0.00 0.71 0.00 0.00 54.79 56.10 1n3t n ASP 57 Cb 0.26 -0.44 -0.01 0.00 -0.02 0.00 0.00 41.12 40.92 1n3t n ASP 57 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1n3t n SER 58 N -1.59 0.44 0.33 -2.24 2.88 -1.26 -4.48 113.62 107.70 1n3t n SER 58 Ca -0.00 0.11 0.15 0.00 -1.33 0.00 0.00 58.87 57.80 1n3t n SER 58 Cb 0.16 -0.56 0.81 0.00 -0.75 0.00 0.00 64.21 63.87 1n3t n SER 58 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1n3t h LEU 59 N -0.23 0.00 -1.47 2.46 3.38 -1.87 -2.00 115.31 115.58 1n3t h LEU 59 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1n3t h LEU 59 Cb 0.21 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1n3t h LEU 59 CO 0.00 0.00 0.41 -0.03 0.09 0.00 0.00 178.44 178.91 1n3t h MET 60 N 0.00 0.64 0.00 1.13 4.05 -1.53 -2.92 114.93 116.31 1n3t h MET 60 Ca 0.00 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 1n3t h MET 60 Cb 0.65 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 31.30 1n3t h MET 60 CO 0.00 0.43 -1.10 0.39 0.23 0.00 0.00 176.91 176.85 1n3t n GLU 61 N -4.47 0.35 -0.30 0.39 -0.58 -0.75 -4.46 120.64 110.82 1n3t n GLU 61 Ca 0.08 -0.01 0.13 0.00 -0.42 0.00 0.00 57.16 56.95 1n3t n GLU 61 Cb 0.19 -1.61 0.31 0.00 -0.57 0.00 0.00 31.44 29.75 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 0.43 -0.42 2.62 2.02 -1.62 -0.78 112.91 115.17 1n3t h THR 62 Ca 0.00 -0.12 0.05 0.00 0.77 0.00 0.00 66.41 67.11 1n3t h THR 62 Cb 0.78 0.05 -0.05 0.00 -1.74 0.00 0.00 68.15 67.19 1n3t h THR 62 CO 0.00 0.06 0.14 -0.65 0.37 0.00 0.00 175.52 175.44 1n3t h PRO 63 N 0.35 0.29 0.00 6.66 0.11 -1.78 -0.72 132.00 136.91 1n3t h PRO 63 Ca 0.56 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.60 1n3t h PRO 63 Cb 1.09 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1n3t h PRO 63 CO -0.56 0.19 -0.25 0.45 -0.21 0.00 0.00 178.00 177.62 1n3t h HIS 64 N 0.29 0.00 -0.03 0.65 3.86 -1.46 -2.64 115.15 115.82 1n3t h HIS 64 Ca 0.20 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.31 1n3t h HIS 64 Cb 0.19 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.67 1n3t h HIS 64 CO -0.16 0.25 -0.34 0.00 0.86 0.00 0.00 177.93 178.54 1n3t h ARG 65 N 0.00 0.29 -0.07 2.45 3.08 -0.75 -2.49 114.38 116.89 1n3t h ARG 65 Ca -0.00 -0.27 0.02 0.00 0.07 0.00 0.00 59.98 59.80 1n3t h ARG 65 Cb 0.48 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 1n3t h ARG 65 CO 0.03 0.95 -0.04 0.82 -1.07 0.00 0.00 179.97 180.66 1n3t h ILE 66 N -0.28 0.87 -1.00 2.04 2.04 -1.11 0.95 117.51 121.01 1n3t h ILE 66 Ca -0.03 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.98 1n3t h ILE 66 Cb 1.04 0.87 -0.09 0.00 -0.74 0.00 0.00 36.82 37.90 1n3t h ILE 66 CO 0.07 0.00 0.62 0.00 0.00 0.00 0.00 178.15 178.84 1n3t h ALA 67 N 1.02 1.61 -0.22 1.87 0.00 -1.52 0.20 119.26 122.22 1n3t h ALA 67 Ca 0.04 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1n3t h ALA 67 Cb 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1n3t h ALA 67 CO -0.10 0.08 -0.43 -0.22 0.00 0.00 0.00 179.25 178.59 1n3t h LYS 68 N 0.88 0.69 -0.10 0.00 3.64 -1.00 -2.64 116.57 118.04 1n3t h LYS 68 Ca 0.54 -0.44 0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1n3t h LYS 68 Cb 0.70 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.55 1n3t h LYS 68 CO -0.32 1.06 -0.02 1.98 -2.27 0.00 0.00 179.45 179.88 1n3t h MET 69 N 0.40 0.01 0.47 1.90 4.05 0.14 0.29 114.93 122.19 1n3t h MET 69 Ca 0.01 -0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.41 1n3t h MET 69 Cb 1.03 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.84 1n3t h MET 69 CO 0.10 0.00 -0.22 1.88 0.23 0.00 0.00 176.91 178.90 1n3t h TYR 70 N 0.01 -0.58 0.23 1.39 0.05 -0.76 0.11 116.97 117.42 1n3t h TYR 70 Ca 0.05 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 1n3t h TYR 70 Cb 0.07 0.19 0.00 0.00 1.01 0.00 0.00 36.73 38.01 1n3t h TYR 70 CO -0.15 -0.36 -0.11 0.28 -1.05 0.00 0.00 178.16 176.77 1n3t h VAL 71 N -0.64 0.78 0.00 -2.88 2.07 -1.48 -2.87 116.25 111.23 1n3t h VAL 71 Ca -0.06 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 1n3t h VAL 71 Cb 0.48 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1n3t h VAL 71 CO 0.11 0.01 -0.89 0.44 0.02 0.00 0.00 177.57 177.26 1n3t h ASP 72 N -0.34 0.00 0.00 0.57 3.32 -0.56 -3.39 116.42 116.01 1n3t h ASP 72 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1n3t h ASP 72 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1n3t h ASP 72 CO 0.05 0.10 0.00 -0.62 -1.72 0.00 0.00 179.24 177.06 1n3t n GLU 73 N -2.80 0.00 0.06 3.56 1.02 -0.00 -4.61 120.64 117.87 1n3t n GLU 73 Ca -0.01 0.00 0.21 0.00 -0.02 0.00 0.00 57.16 57.34 1n3t n GLU 73 Cb 0.60 0.00 0.63 0.00 -0.02 0.00 0.00 31.44 32.65 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 0.19 -0.15 -3.67 3.07 -1.06 0.12 117.51 116.01 1n3t h ILE 74 Ca 0.00 0.00 -0.00 0.00 1.55 0.00 0.00 64.86 66.41 1n3t h ILE 74 Cb 0.00 0.44 -0.00 0.00 -0.27 0.00 0.00 36.82 36.99 1n3t h ILE 74 CO 0.00 0.00 -0.00 0.49 -1.05 0.00 0.00 178.15 177.59 1n3t n PHE 75 N -3.39 0.56 0.38 0.16 3.72 -1.08 -2.96 117.46 114.85 1n3t n PHE 75 Ca 0.10 -0.94 0.04 0.00 -0.05 0.00 0.00 57.45 56.59 1n3t n PHE 75 Cb 0.85 -0.25 0.20 0.00 -0.94 0.00 0.00 39.48 39.34 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 -0.90 0.00 -0.29 4.37 3.41 0.42 -2.15 113.62 118.47 1n3t n SER 76 Ca 0.19 0.08 0.13 0.00 -0.26 0.00 0.00 58.87 59.02 1n3t n SER 76 Cb 0.79 -0.22 0.46 0.00 -0.26 0.00 0.00 64.21 64.99 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 -0.62 -0.48 0.06 5.00 0.00 -0.39 -3.74 105.19 105.03 1n3t n GLY 77 Ca 0.04 -0.39 0.12 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.45 0.68 -4.44 0.99 4.77 -0.91 -4.70 117.00 112.93 1n3t n LEU 78 Ca 0.15 0.28 -0.40 0.00 -0.03 0.00 0.00 56.01 56.01 1n3t n LEU 78 Cb 0.34 -0.22 -0.11 0.00 -2.33 0.00 0.00 43.42 41.09 1n3t n LEU 78 CO 0.23 -0.06 -0.17 -0.62 -1.33 0.00 0.00 177.39 175.44 1n3t s ASP 79 N -4.14 5.74 0.00 -1.43 -1.08 -1.25 -4.95 116.67 109.57 1n3t s ASP 79 Ca 0.08 -0.65 0.11 0.00 -0.52 0.00 0.00 52.55 51.57 1n3t s ASP 79 Cb 0.14 -2.05 0.66 0.00 -1.46 0.00 0.00 42.92 40.21 1n3t s ASP 79 CO 0.69 -0.27 1.08 -1.22 0.52 0.00 0.00 175.17 175.98 1n3t n TYR 80 N 5.03 0.00 0.40 -5.34 4.02 -1.26 -1.60 117.16 118.41 1n3t n TYR 80 Ca -0.13 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 57.89 1n3t n TYR 80 Cb 0.48 0.00 0.50 0.00 -0.02 0.00 0.00 39.34 40.31 1n3t n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1n3t h ALA 81 N 2.66 1.00 -0.03 -0.72 0.00 -1.92 -2.77 119.26 117.49 1n3t h ALA 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n3t h ALA 81 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1n3t h ALA 81 CO 0.00 0.00 -0.05 0.09 0.00 0.00 0.00 179.25 179.29 1n3t n ASN 82 N -2.34 2.75 -4.69 0.00 3.02 -0.62 -4.96 115.26 108.42 1n3t n ASN 82 Ca 0.02 -1.87 -0.43 0.00 -0.03 0.00 0.00 54.58 52.26 1n3t n ASN 82 Cb 0.26 0.05 -0.03 0.00 -0.61 0.00 0.00 39.78 39.44 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 1.11 2.55 -1.22 3.10 7.35 -1.05 -4.90 117.46 124.40 1n3t n PHE 83 Ca 0.12 -0.07 -0.35 0.00 -0.76 0.00 0.00 57.45 56.40 1n3t n PHE 83 Cb 0.54 -2.70 0.10 0.00 0.35 0.00 0.00 39.48 37.77 1n3t n PHE 83 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1n3t n PRO 84 N 5.39 0.31 -2.41 -7.13 -0.04 -1.26 -4.93 135.00 124.92 1n3t n PRO 84 Ca 0.18 0.16 -0.41 0.00 -0.04 0.00 0.00 63.50 63.39 1n3t n PRO 84 Cb 0.35 -2.16 -0.03 0.00 -0.04 0.00 0.00 33.50 31.62 1n3t n PRO 84 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1n3t s LYS 85 N -3.44 4.49 -0.06 0.54 1.02 -1.26 -4.94 119.74 116.09 1n3t s LYS 85 Ca 0.70 1.81 -0.01 0.00 0.02 0.00 0.00 55.97 58.49 1n3t s LYS 85 Cb -0.32 -3.29 -0.03 0.00 -0.52 0.00 0.00 37.83 33.67 1n3t s LYS 85 CO 0.54 -0.12 0.02 0.42 -0.92 0.00 0.00 175.35 175.28 1n3t s ILE 86 N 0.34 4.42 -0.05 2.17 1.01 -1.26 -4.97 121.20 122.85 1n3t s ILE 86 Ca 0.55 -0.32 -0.00 0.00 0.00 0.00 0.00 60.65 60.87 1n3t s ILE 86 Cb -0.31 -2.91 0.03 0.00 0.01 0.00 0.00 42.46 39.28 1n3t s ILE 86 CO 0.33 0.52 -0.01 0.42 0.00 0.00 0.00 174.94 176.21 1n3t s THR 87 N -0.98 0.32 0.19 2.92 -4.23 -1.26 -5.12 115.64 107.48 1n3t s THR 87 Ca 0.16 0.08 0.09 0.00 -1.18 0.00 0.00 61.69 60.83 1n3t s THR 87 Cb -0.11 -0.44 -0.04 0.00 1.34 0.00 0.00 72.50 73.25 1n3t s THR 87 CO 0.06 0.21 -0.17 -0.76 -0.54 0.00 0.00 174.62 173.42 1n3t s LEU 88 N 1.46 2.50 0.07 4.79 1.43 -1.26 -2.70 118.68 124.98 1n3t s LEU 88 Ca -0.03 -0.94 0.08 0.00 -1.03 0.00 0.00 54.13 52.21 1n3t s LEU 88 Cb -0.13 -0.79 -0.03 0.00 0.03 0.00 0.00 46.19 45.26 1n3t s LEU 88 CO -0.03 -0.08 -0.23 -0.63 0.23 0.00 0.00 176.35 175.62 1n3t s ILE 89 N -2.45 1.85 0.32 -0.59 1.01 -0.93 -4.97 121.20 115.43 1n3t s ILE 89 Ca 0.20 -1.42 -0.29 0.00 0.00 0.00 0.00 60.65 59.14 1n3t s ILE 89 Cb -0.04 -1.63 -0.11 0.00 0.01 0.00 0.00 42.46 40.69 1n3t s ILE 89 CO 0.08 0.14 1.53 -0.70 0.00 0.00 0.00 174.94 175.98 1n3t s GLU 90 N -1.54 4.15 -1.37 2.79 2.12 -1.26 -1.58 118.70 122.01 1n3t s GLU 90 Ca 0.09 2.53 -0.15 0.00 0.36 0.00 0.00 54.97 57.79 1n3t s GLU 90 Cb -0.10 -3.02 0.07 0.00 0.26 0.00 0.00 34.13 31.35 1n3t s GLU 90 CO 0.03 -0.55 1.96 -1.71 -0.54 0.00 0.00 175.26 174.45 1n3t n ASN 91 N 1.54 4.48 0.09 -1.70 5.15 -0.62 -4.62 115.26 119.58 1n3t n ASN 91 Ca 0.05 -2.90 -0.02 0.00 -0.60 0.00 0.00 54.58 51.11 1n3t n ASN 91 Cb 0.39 -1.67 -0.05 0.00 -0.53 0.00 0.00 39.78 37.92 1n3t n ASN 91 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1n3t h LYS 92 N 6.65 0.00 0.00 1.20 1.57 -1.90 -3.02 116.57 121.07 1n3t h LYS 92 Ca 0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.27 1n3t h LYS 92 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1n3t h LYS 92 CO 1.66 0.66 0.00 -1.33 -0.57 0.00 0.00 179.45 179.87 1n3t n MET 93 N -3.22 0.22 -3.61 3.15 2.81 -1.26 -4.90 117.12 110.31 1n3t n MET 93 Ca -0.01 0.40 -0.23 0.00 -1.81 0.00 0.00 57.70 56.05 1n3t n MET 93 Cb 0.84 -1.89 0.07 0.00 -0.71 0.00 0.00 33.22 31.53 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 -2.30 -6.88 -1.68 0.03 4.01 -1.14 -4.87 118.16 105.33 1n3t n LYS 94 Ca 0.03 0.78 -0.40 0.00 -0.51 0.00 0.00 58.31 58.21 1n3t n LYS 94 Cb 0.27 -5.74 -0.03 0.00 -0.51 0.00 0.00 35.03 29.02 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 -3.37 3.10 -1.35 -0.18 1.01 -1.26 -4.82 120.40 113.53 1n3t s VAL 95 Ca 0.36 0.08 0.18 0.00 0.00 0.00 0.00 61.98 62.60 1n3t s VAL 95 Cb -0.17 -3.18 0.57 0.00 0.00 0.00 0.00 36.38 33.60 1n3t s VAL 95 CO 0.75 -0.15 1.48 -0.90 0.00 0.00 0.00 175.10 176.29 1n3t n ASP 96 N 13.42 3.90 -4.56 3.32 5.75 -1.26 -4.21 116.55 132.90 1n3t n ASP 96 Ca 0.31 -2.18 -0.30 0.00 -0.01 0.00 0.00 54.79 52.60 1n3t n ASP 96 Cb 0.50 -0.45 -0.10 0.00 -1.03 0.00 0.00 41.12 40.04 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 -1.34 2.19 0.61 0.11 0.41 -1.26 -4.99 118.70 114.43 1n3t s GLU 97 Ca 0.42 -0.96 -0.18 0.00 -0.41 0.00 0.00 54.97 53.84 1n3t s GLU 97 Cb 0.24 -2.32 -0.03 0.00 -1.78 0.00 0.00 34.13 30.25 1n3t s GLU 97 CO 0.25 0.53 1.20 0.00 -0.49 0.00 0.00 175.26 176.75 1n3t s MET 98 N -1.93 2.87 -0.12 1.61 0.23 -1.26 -4.66 119.30 116.04 1n3t s MET 98 Ca 0.19 1.79 -0.01 0.00 -1.03 0.00 0.00 55.69 56.64 1n3t s MET 98 Cb -0.11 -1.92 -0.02 0.00 -1.53 0.00 0.00 34.83 31.25 1n3t s MET 98 CO 0.11 -1.28 -0.10 0.08 -2.03 0.00 0.00 175.02 171.80 1n3t s VAL 99 N -1.68 3.32 -0.04 5.16 1.01 0.06 -4.96 120.40 123.28 1n3t s VAL 99 Ca 0.76 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 62.22 1n3t s VAL 99 Cb -0.30 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 1n3t s VAL 99 CO 0.35 0.53 -0.18 -0.89 0.00 0.00 0.00 175.10 174.91 1n3t s THR 100 N 0.17 1.45 -0.24 3.92 2.01 -1.26 -2.17 115.64 119.53 1n3t s THR 100 Ca -0.06 -0.74 0.02 0.00 0.31 0.00 0.00 61.69 61.22 1n3t s THR 100 Cb -0.15 -1.24 0.04 0.00 0.01 0.00 0.00 72.50 71.17 1n3t s THR 100 CO 0.04 0.42 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.57 1n3t s VAL 101 N -0.09 2.24 0.33 3.82 1.01 -0.58 -5.03 120.40 122.10 1n3t s VAL 101 Ca -0.01 -1.35 0.07 0.00 0.00 0.00 0.00 61.98 60.69 1n3t s VAL 101 Cb -0.10 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 1n3t s VAL 101 CO 0.01 0.17 0.34 0.00 0.00 0.00 0.00 175.10 175.62 1n3t s ARG 102 N 1.19 2.85 -1.55 2.72 1.70 -1.26 -1.83 118.95 122.76 1n3t s ARG 102 Ca -0.04 -1.20 -0.15 0.00 -0.47 0.00 0.00 55.73 53.87 1n3t s ARG 102 Cb -0.17 -2.58 0.12 0.00 -0.57 0.00 0.00 34.95 31.74 1n3t s ARG 102 CO -0.07 0.10 0.77 -0.25 -1.08 0.00 0.00 175.30 174.76 1n3t n ASP 103 N -1.44 -3.85 -4.70 -2.89 8.00 -1.17 -4.90 116.55 105.59 1n3t n ASP 103 Ca -0.02 -0.78 -0.42 0.00 0.71 0.00 0.00 54.79 54.28 1n3t n ASP 103 Cb 0.59 -3.14 -0.03 0.00 -0.02 0.00 0.00 41.12 38.53 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 -3.19 3.26 0.13 0.53 1.01 0.32 -4.75 121.20 118.52 1n3t s ILE 104 Ca 0.64 0.81 -0.31 0.00 0.00 0.00 0.00 60.65 61.79 1n3t s ILE 104 Cb -0.34 -3.52 -0.08 0.00 0.01 0.00 0.00 42.46 38.53 1n3t s ILE 104 CO 0.79 0.03 1.38 -0.89 0.00 0.00 0.00 174.94 176.25 1n3t s THR 105 N 1.82 3.25 -0.18 2.92 2.01 -1.26 -0.49 115.64 123.71 1n3t s THR 105 Ca 0.67 0.92 -0.01 0.00 0.31 0.00 0.00 61.69 63.58 1n3t s THR 105 Cb -0.37 -3.59 0.05 0.00 0.01 0.00 0.00 72.50 68.60 1n3t s THR 105 CO 0.30 0.08 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.07 1n3t s LEU 106 N 0.89 1.60 -0.08 4.42 0.20 0.05 -4.77 118.68 121.00 1n3t s LEU 106 Ca 0.63 -0.77 -0.02 0.00 0.69 0.00 0.00 54.13 54.66 1n3t s LEU 106 Cb -0.37 -0.84 -0.03 0.00 -0.43 0.00 0.00 46.19 44.51 1n3t s LEU 106 CO 0.32 -0.23 0.02 0.42 -0.29 0.00 0.00 176.35 176.59 1n3t s THR 107 N 1.68 4.47 0.21 3.68 -4.23 -1.26 -1.84 115.64 118.34 1n3t s THR 107 Ca -0.01 -0.22 -0.23 0.00 -1.18 0.00 0.00 61.69 60.05 1n3t s THR 107 Cb -0.16 -2.91 0.04 0.00 1.34 0.00 0.00 72.50 70.82 1n3t s THR 107 CO -0.07 0.58 0.80 -0.55 -0.54 0.00 0.00 174.62 174.83 1n3t s SER 108 N -0.99 -0.27 -0.05 3.99 0.15 -0.90 -4.26 113.70 111.36 1n3t s SER 108 Ca 0.14 -0.44 0.04 0.00 0.70 0.00 0.00 55.95 56.40 1n3t s SER 108 Cb -0.11 0.62 -0.00 0.00 -1.71 0.00 0.00 66.02 64.81 1n3t s SER 108 CO 0.04 -1.12 -0.18 -0.89 1.20 0.00 0.00 173.24 172.29 1n3t s THR 109 N -3.64 1.54 0.09 6.45 2.01 -1.24 -0.66 115.64 120.20 1n3t s THR 109 Ca 0.10 -0.76 -0.30 0.00 0.31 0.00 0.00 61.69 61.03 1n3t s THR 109 Cb -0.04 -1.33 -0.06 0.00 0.01 0.00 0.00 72.50 71.08 1n3t s THR 109 CO 0.02 0.44 1.13 0.00 -0.69 0.00 0.00 174.62 175.52 1n3t h GLU 111 N 6.20 0.00 -0.01 0.00 4.11 -1.46 0.24 114.58 123.66 1n3t h GLU 111 Ca -0.42 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 58.87 1n3t h GLU 111 Cb 1.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 1n3t h GLU 111 CO 0.77 0.06 -0.63 0.45 0.07 0.00 0.00 179.01 179.73 1n3t h HIS 112 N 0.00 0.03 0.00 2.06 3.86 -1.91 -3.37 115.15 115.82 1n3t h HIS 112 Ca -0.00 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1n3t h HIS 112 Cb 0.57 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.03 1n3t h HIS 112 CO 0.00 0.65 0.00 0.72 0.86 0.00 0.00 177.93 180.16 1n3t n HIS 113 N -3.79 0.00 -2.86 2.45 8.25 -1.19 -5.00 115.22 113.08 1n3t n HIS 113 Ca -0.01 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.27 1n3t n HIS 113 Cb 0.63 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.77 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 -0.21 -1.54 -4.17 4.41 3.01 0.85 -5.01 117.46 114.79 1n3t n PHE 114 Ca 0.00 0.41 -0.25 0.00 1.01 0.00 0.00 57.45 58.63 1n3t n PHE 114 Cb 0.06 -3.74 -0.06 0.00 -0.01 0.00 0.00 39.48 35.73 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 -3.04 4.00 0.30 -4.37 1.01 -1.22 -4.85 120.40 112.23 1n3t s VAL 115 Ca 0.24 -1.43 -0.29 0.00 0.00 0.00 0.00 61.98 60.50 1n3t s VAL 115 Cb -0.11 -3.08 -0.13 0.00 0.00 0.00 0.00 36.38 33.07 1n3t s VAL 115 CO 0.30 -0.21 1.24 0.41 0.00 0.00 0.00 175.10 176.83 1n3t n THR 116 N -0.55 1.77 -3.86 3.92 -1.04 -1.26 -0.36 114.28 112.90 1n3t n THR 116 Ca -0.08 -0.44 -0.27 0.00 -2.04 0.00 0.00 64.05 61.22 1n3t n THR 116 Cb 0.56 -1.38 -0.17 0.00 -1.82 0.00 0.00 70.33 67.52 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 -0.86 0.90 -0.25 12.58 1.01 0.17 -1.44 121.20 133.31 1n3t s ILE 117 Ca 0.59 -0.41 -0.05 0.00 0.00 0.00 0.00 60.65 60.78 1n3t s ILE 117 Cb -0.63 -1.07 -0.00 0.00 0.01 0.00 0.00 42.46 40.77 1n3t s ILE 117 CO 0.59 0.18 0.01 -0.62 0.00 0.00 0.00 174.94 175.09 1n3t s ASP 118 N 1.73 4.66 0.26 3.58 2.15 -0.83 -2.11 116.67 126.12 1n3t s ASP 118 Ca 0.02 -0.48 -0.21 0.00 0.43 0.00 0.00 52.55 52.31 1n3t s ASP 118 Cb -0.14 -1.80 0.03 0.00 -0.30 0.00 0.00 42.92 40.70 1n3t s ASP 118 CO -0.07 -0.07 0.73 -0.83 -0.17 0.00 0.00 175.17 174.75 1n3t s GLY 119 N 1.50 -0.14 0.02 2.66 0.00 -0.76 -1.04 107.32 109.55 1n3t s GLY 119 Ca 0.05 -0.22 0.08 0.00 0.00 0.00 0.00 44.72 44.62 1n3t s GLY 119 CO -0.01 -0.06 -0.22 0.54 0.00 0.00 0.00 173.10 173.34 1n3t s LYS 120 N -3.85 2.04 0.13 2.90 3.01 0.13 -0.77 119.74 123.33 1n3t s LYS 120 Ca 0.10 -0.98 0.10 0.00 -1.01 0.00 0.00 55.97 54.19 1n3t s LYS 120 Cb -0.05 -2.10 -0.04 0.00 -1.01 0.00 0.00 37.83 34.62 1n3t s LYS 120 CO 0.05 0.55 -0.24 0.00 0.51 0.00 0.00 175.35 176.22 1n3t s ALA 121 N -0.78 2.49 -0.12 5.17 0.00 0.36 -0.51 121.76 128.38 1n3t s ALA 121 Ca 0.12 -1.44 0.01 0.00 0.00 0.00 0.00 51.96 50.65 1n3t s ALA 121 Cb -0.10 -0.47 0.02 0.00 0.00 0.00 0.00 23.12 22.57 1n3t s ALA 121 CO 0.02 0.55 -0.14 0.99 0.00 0.00 0.00 175.76 177.18 1n3t s THR 122 N -1.13 1.44 0.00 0.00 2.01 0.20 -0.52 115.64 117.64 1n3t s THR 122 Ca 0.16 -0.59 0.08 0.00 0.31 0.00 0.00 61.69 61.65 1n3t s THR 122 Cb -0.10 -1.34 -0.02 0.00 0.01 0.00 0.00 72.50 71.05 1n3t s THR 122 CO 0.08 0.43 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.51 1n3t s VAL 123 N 1.18 1.92 0.04 3.82 1.01 -0.76 -0.80 120.40 126.80 1n3t s VAL 123 Ca -0.03 -1.13 -0.04 0.00 0.00 0.00 0.00 61.98 60.78 1n3t s VAL 123 Cb -0.14 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 1n3t s VAL 123 CO -0.04 0.45 0.05 0.00 0.00 0.00 0.00 175.10 175.56 1n3t s ALA 124 N -0.65 0.08 0.36 5.51 0.00 0.11 -1.53 121.76 125.64 1n3t s ALA 124 Ca 0.10 -0.70 -0.17 0.00 0.00 0.00 0.00 51.96 51.19 1n3t s ALA 124 Cb -0.09 0.25 0.05 0.00 0.00 0.00 0.00 23.12 23.32 1n3t s ALA 124 CO 0.00 -0.31 0.77 1.52 0.00 0.00 0.00 175.76 177.75 1n3t s TYR 125 N -2.74 0.04 -0.33 0.00 1.13 -0.92 0.93 117.35 115.46 1n3t s TYR 125 Ca -0.04 -0.67 0.00 0.00 -1.41 0.00 0.00 57.07 54.95 1n3t s TYR 125 Cb -0.00 0.81 0.11 0.00 -1.10 0.00 0.00 41.96 41.77 1n3t s TYR 125 CO -0.05 -1.49 0.12 0.42 -2.51 0.00 0.00 175.55 172.03 1n3t s ILE 126 N -2.71 1.04 -0.04 -3.49 1.01 -0.58 -0.76 121.20 115.67 1n3t s ILE 126 Ca 0.14 -1.65 -0.40 0.00 0.00 0.00 0.00 60.65 58.75 1n3t s ILE 126 Cb -0.05 -1.78 -0.19 0.00 0.01 0.00 0.00 42.46 40.45 1n3t s ILE 126 CO 0.10 -0.71 1.25 -2.65 0.00 0.00 0.00 174.94 172.93 1n3t n PRO 127 N 4.59 0.42 0.00 2.79 -0.02 -1.26 -4.88 135.00 136.64 1n3t n PRO 127 Ca 0.00 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1n3t n PRO 127 Cb 0.41 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 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 2.31 0.00 -0.01 -0.52 4.81 -1.26 -4.72 118.16 118.77 1n3t n LYS 128 Ca 0.21 0.00 0.10 0.00 -0.87 0.00 0.00 58.31 57.76 1n3t n LYS 128 Cb 0.10 0.00 -0.17 0.00 0.02 0.00 0.00 35.03 34.98 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 -1.12 0.01 -4.10 3.14 8.00 -1.26 -4.85 116.55 116.36 1n3t n ASP 129 Ca 0.00 0.01 -0.08 0.00 0.71 0.00 0.00 54.79 55.42 1n3t n ASP 129 Cb 0.00 1.95 -0.10 0.00 -0.02 0.00 0.00 41.12 42.95 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 -4.56 0.68 0.01 -2.24 1.04 -1.26 -1.59 113.70 105.79 1n3t s SER 130 Ca -0.08 -0.95 0.06 0.00 0.48 0.00 0.00 55.95 55.47 1n3t s SER 130 Cb 0.14 0.15 -0.03 0.00 0.10 0.00 0.00 66.02 66.38 1n3t s SER 130 CO 0.91 -0.52 -0.17 -0.69 0.98 0.00 0.00 173.24 173.75 1n3t s VAL 131 N -3.54 2.89 -0.02 5.02 1.01 -0.61 -4.62 120.40 120.53 1n3t s VAL 131 Ca 0.06 -1.04 -0.03 0.00 0.00 0.00 0.00 61.98 60.97 1n3t s VAL 131 Cb 0.05 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1n3t s VAL 131 CO -0.07 0.41 0.17 -0.63 0.00 0.00 0.00 175.10 174.98 1n3t s ILE 132 N -0.87 5.40 0.04 2.22 1.01 -1.26 -2.19 121.20 125.55 1n3t s ILE 132 Ca 0.14 -0.14 -0.30 0.00 0.00 0.00 0.00 60.65 60.34 1n3t s ILE 132 Cb -0.11 -3.51 -0.09 0.00 0.01 0.00 0.00 42.46 38.77 1n3t s ILE 132 CO 0.04 0.35 1.89 -0.83 0.00 0.00 0.00 174.94 176.39 1n3t s GLY 133 N -1.85 1.45 0.42 6.18 0.00 -1.10 -4.87 107.32 107.56 1n3t s GLY 133 Ca 0.26 1.29 0.28 0.00 0.00 0.00 0.00 44.72 46.54 1n3t s GLY 133 CO 0.17 3.34 1.63 1.41 0.00 0.00 0.00 173.10 179.65 1n3t h LEU 134 N 10.16 0.28 -1.03 0.66 3.38 -1.96 0.35 115.31 127.14 1n3t h LEU 134 Ca -0.47 0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 1n3t h LEU 134 Cb 1.22 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.10 1n3t h LEU 134 CO 0.94 -0.18 -0.12 0.77 0.09 0.00 0.00 178.44 179.93 1n3t h SER 135 N 0.11 0.00 -0.52 -0.43 4.64 -2.00 -3.11 113.55 112.25 1n3t h SER 135 Ca 0.81 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 62.06 1n3t h SER 135 Cb 2.44 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 64.51 1n3t h SER 135 CO -0.45 0.12 0.05 0.11 -0.87 0.00 0.00 176.83 175.80 1n3t h LYS 136 N 0.00 0.88 -0.82 4.77 1.79 -0.66 0.17 116.57 122.71 1n3t h LYS 136 Ca -0.00 -0.25 0.06 0.00 -2.18 0.00 0.00 60.65 58.28 1n3t h LYS 136 Cb 0.73 -0.09 -0.06 0.00 -1.58 0.00 0.00 32.23 31.23 1n3t h LYS 136 CO 0.02 0.88 0.50 0.82 -1.08 0.00 0.00 179.45 180.58 1n3t h ILE 137 N 0.76 1.03 -0.42 1.86 2.04 -1.62 0.22 117.51 121.37 1n3t h ILE 137 Ca 0.15 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1n3t h ILE 137 Cb 0.45 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 1n3t h ILE 137 CO 0.02 0.17 0.22 0.78 0.00 0.00 0.00 178.15 179.33 1n3t h ASN 138 N 0.91 0.54 0.81 1.72 2.35 -1.47 -1.69 115.58 118.76 1n3t h ASN 138 Ca 0.36 -0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.96 1n3t h ASN 138 Cb 0.17 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1n3t h ASN 138 CO -0.17 0.49 -0.42 0.03 -1.65 0.00 0.00 177.43 175.70 1n3t h ARG 139 N 0.55 -1.10 -0.58 0.81 2.47 0.10 -2.80 114.38 113.83 1n3t h ARG 139 Ca 0.15 0.07 0.12 0.00 -1.26 0.00 0.00 59.98 59.06 1n3t h ARG 139 Cb 0.08 0.25 -0.10 0.00 -1.65 0.00 0.00 29.97 28.55 1n3t h ARG 139 CO -0.02 -0.73 -0.02 0.82 0.56 0.00 0.00 179.97 180.58 1n3t h ILE 140 N -1.14 0.51 -0.58 2.04 2.04 -0.58 -0.52 117.51 119.29 1n3t h ILE 140 Ca -0.11 -0.03 0.10 0.00 1.00 0.00 0.00 64.86 65.81 1n3t h ILE 140 Cb 0.89 0.40 -0.07 0.00 -0.74 0.00 0.00 36.82 37.29 1n3t h ILE 140 CO 0.16 0.02 0.17 0.58 0.00 0.00 0.00 178.15 179.08 1n3t h VAL 141 N 0.10 0.72 0.00 1.67 2.07 -1.25 -1.61 116.25 117.96 1n3t h VAL 141 Ca 0.30 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.71 1n3t h VAL 141 Cb 0.48 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1n3t h VAL 141 CO -0.51 0.06 0.00 1.56 0.02 0.00 0.00 177.57 178.70 1n3t h GLN 142 N 0.32 0.00 0.36 1.57 1.08 -0.88 -2.61 115.11 114.96 1n3t h GLN 142 Ca 0.29 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.48 1n3t h GLN 142 Cb 0.39 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.83 1n3t h GLN 142 CO -0.34 0.00 -0.17 0.35 -0.95 0.00 0.00 178.83 177.72 1n3t h PHE 143 N 0.00 -0.45 0.00 2.96 3.57 -0.18 -2.04 116.94 120.80 1n3t h PHE 143 Ca 0.00 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1n3t h PHE 143 Cb 0.64 0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.52 1n3t h PHE 143 CO 0.00 -0.13 -0.08 0.74 -2.23 0.00 0.00 178.31 176.61 1n3t h PHE 144 N -0.97 0.00 -0.07 0.41 0.04 -1.57 -2.48 116.94 112.30 1n3t h PHE 144 Ca -0.05 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.55 1n3t h PHE 144 Cb 0.52 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 1n3t h PHE 144 CO 0.03 0.08 -0.69 0.00 -0.60 0.00 0.00 178.31 177.13 1n3t h ALA 145 N 1.92 0.68 0.00 2.45 0.00 -1.43 -3.30 119.26 119.59 1n3t h ALA 145 Ca -0.00 -0.59 -0.47 0.00 0.00 0.00 0.00 54.91 53.84 1n3t h ALA 145 Cb 0.50 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1n3t h ALA 145 CO 0.01 0.76 2.74 1.04 0.00 0.00 0.00 179.25 183.80 1n3t n GLN 146 N -3.84 2.74 -3.82 0.00 1.13 -0.77 -4.18 117.38 108.64 1n3t n GLN 146 Ca -0.03 -1.69 -0.10 0.00 -1.94 0.00 0.00 57.00 53.24 1n3t n GLN 146 Cb 0.68 -2.52 -0.06 0.00 0.11 0.00 0.00 30.24 28.45 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 2.53 1.10 -0.23 -1.09 0.52 -1.16 -1.26 118.95 119.37 1n3t s ARG 147 Ca 0.55 -0.96 -0.29 0.00 -0.52 0.00 0.00 55.73 54.51 1n3t s ARG 147 Cb 0.16 0.41 -0.02 0.00 0.52 0.00 0.00 34.95 36.03 1n3t s ARG 147 CO -0.04 -0.41 1.50 -2.14 0.02 0.00 0.00 175.30 174.23 1n3t s PRO 148 N -3.89 3.89 0.46 3.54 0.02 -1.26 -3.66 135.00 134.10 1n3t s PRO 148 Ca 0.10 1.58 0.05 0.00 0.02 0.00 0.00 61.00 62.75 1n3t s PRO 148 Cb 0.03 -3.97 -0.03 0.00 0.02 0.00 0.00 34.50 30.55 1n3t s PRO 148 CO -0.06 -1.17 0.12 -0.65 -0.33 0.00 0.00 177.00 174.91 1n3t s GLN 149 N 4.39 2.16 -0.07 5.54 -1.52 0.33 -4.64 119.66 125.85 1n3t s GLN 149 Ca 0.66 -2.10 -0.01 0.00 -1.95 0.00 0.00 55.36 51.95 1n3t s GLN 149 Cb -0.23 -1.78 0.03 0.00 -0.22 0.00 0.00 33.01 30.81 1n3t s GLN 149 CO 0.26 -0.25 -0.00 0.08 -0.25 0.00 0.00 175.29 175.13 1n3t s VAL 150 N -2.74 0.39 0.25 1.09 1.01 -1.26 -1.30 120.40 117.84 1n3t s VAL 150 Ca 0.28 0.11 -0.04 0.00 0.00 0.00 0.00 61.98 62.32 1n3t s VAL 150 Cb 0.04 -0.54 0.25 0.00 0.00 0.00 0.00 36.38 36.12 1n3t s VAL 150 CO 0.15 0.26 1.68 -0.61 0.00 0.00 0.00 175.10 176.58 1n3t h GLN 151 N 8.30 0.24 0.00 2.72 4.15 -1.98 0.57 115.11 129.10 1n3t h GLN 151 Ca -0.20 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.20 1n3t h GLN 151 Cb 1.13 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.76 1n3t h GLN 151 CO 0.27 0.16 -0.01 0.93 -1.93 0.00 0.00 178.83 178.24 1n3t h GLU 152 N 0.25 0.00 0.13 1.69 3.07 -1.99 -1.93 114.58 115.80 1n3t h GLU 152 Ca 0.43 0.00 -0.31 0.00 -0.50 0.00 0.00 59.36 58.98 1n3t h GLU 152 Cb 0.76 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.66 1n3t h GLU 152 CO -0.54 0.01 -1.62 -0.09 -1.40 0.00 0.00 179.01 175.37 1n3t h ARG 153 N 0.00 0.27 -0.62 2.33 2.43 -1.41 -3.28 114.38 114.10 1n3t h ARG 153 Ca -0.00 -0.46 0.10 0.00 -0.81 0.00 0.00 59.98 58.80 1n3t h ARG 153 Cb 0.02 0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.71 1n3t h ARG 153 CO 0.00 1.22 0.41 1.25 -1.51 0.00 0.00 179.97 181.35 1n3t h LEU 154 N -0.16 0.39 -0.37 3.80 5.85 -0.73 -1.07 115.31 123.02 1n3t h LEU 154 Ca -0.34 0.01 -0.18 0.00 0.84 0.00 0.00 57.88 58.20 1n3t h LEU 154 Cb 1.88 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.83 1n3t h LEU 154 CO 0.08 0.24 -0.60 0.74 -0.34 0.00 0.00 178.44 178.56 1n3t h THR 155 N 0.44 1.30 -0.41 1.05 2.02 -1.47 -3.06 112.91 112.78 1n3t h THR 155 Ca 0.29 -1.83 -0.09 0.00 0.77 0.00 0.00 66.41 65.55 1n3t h THR 155 Cb 0.54 1.77 -0.01 0.00 -1.74 0.00 0.00 68.15 68.71 1n3t h THR 155 CO -0.08 0.58 -0.08 1.56 0.37 0.00 0.00 175.52 177.87 1n3t h GLN 156 N 0.53 0.78 0.01 6.66 1.08 -1.29 -2.97 115.11 119.91 1n3t h GLN 156 Ca -0.00 -0.29 -0.00 0.00 -1.45 0.00 0.00 58.65 56.91 1n3t h GLN 156 Cb 1.18 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.56 1n3t h GLN 156 CO 0.12 0.90 -0.00 1.96 -0.95 0.00 0.00 178.83 180.86 1n3t h GLN 157 N 0.60 -0.01 -0.75 1.46 4.20 -1.37 -1.74 115.11 117.50 1n3t h GLN 157 Ca 0.11 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.91 1n3t h GLN 157 Cb 0.60 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.31 1n3t h GLN 157 CO 0.04 -0.00 0.39 0.82 -0.67 0.00 0.00 178.83 179.41 1n3t h ILE 158 N -0.02 0.86 0.72 2.54 2.04 -1.56 0.68 117.51 122.78 1n3t h ILE 158 Ca -0.00 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 1n3t h ILE 158 Cb 0.01 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.24 1n3t h ILE 158 CO 0.00 0.12 -0.40 0.25 0.00 0.00 0.00 178.15 178.13 1n3t h LEU 159 N 0.66 -0.97 -0.99 1.44 5.85 -1.31 -1.10 115.31 118.90 1n3t h LEU 159 Ca 0.37 0.05 0.01 0.00 0.84 0.00 0.00 57.88 59.15 1n3t h LEU 159 Cb 0.38 0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 1n3t h LEU 159 CO -0.27 -0.64 0.66 0.40 -0.34 0.00 0.00 178.44 178.25 1n3t h ILE 160 N -1.04 1.25 0.30 4.05 2.04 -0.87 0.62 117.51 123.86 1n3t h ILE 160 Ca -0.10 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 1n3t h ILE 160 Cb 0.82 -0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1n3t h ILE 160 CO 0.13 0.24 -0.21 0.00 0.00 0.00 0.00 178.15 178.31 1n3t h ALA 161 N 1.37 -1.01 -0.61 1.87 0.00 0.54 -0.83 119.26 120.60 1n3t h ALA 161 Ca 0.37 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.30 1n3t h ALA 161 Cb -0.14 0.37 -0.09 0.00 0.00 0.00 0.00 17.79 17.93 1n3t h ALA 161 CO -0.08 -1.00 0.10 -0.07 0.00 0.00 0.00 179.25 178.20 1n3t h LEU 162 N -0.49 -0.06 -0.55 0.00 3.38 -0.95 -1.07 115.31 115.57 1n3t h LEU 162 Ca -0.04 0.12 0.10 0.00 0.09 0.00 0.00 57.88 58.15 1n3t h LEU 162 Cb 0.40 0.18 -0.11 0.00 0.09 0.00 0.00 40.66 41.22 1n3t h LEU 162 CO 0.02 -0.02 -0.32 1.56 0.09 0.00 0.00 178.44 179.77 1n3t h GLN 163 N 0.22 -0.16 0.33 1.13 4.20 0.53 -1.28 115.11 120.08 1n3t h GLN 163 Ca 0.32 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.04 1n3t h GLN 163 Cb 0.50 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.28 1n3t h GLN 163 CO -0.44 -0.11 -0.45 1.15 -0.67 0.00 0.00 178.83 178.31 1n3t h THR 164 N -0.17 0.10 -0.69 -0.54 2.02 0.15 -1.12 112.91 112.67 1n3t h THR 164 Ca 0.23 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.46 1n3t h THR 164 Cb 0.54 0.10 -0.06 0.00 -1.74 0.00 0.00 68.15 67.00 1n3t h THR 164 CO -0.64 0.00 0.39 -0.07 0.37 0.00 0.00 175.52 175.56 1n3t h LEU 165 N -0.83 0.58 -0.43 2.58 3.38 -1.07 -2.81 115.31 116.71 1n3t h LEU 165 Ca -0.02 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1n3t h LEU 165 Cb 0.77 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1n3t h LEU 165 CO -0.14 0.37 -0.21 -0.07 0.09 0.00 0.00 178.44 178.48 1n3t h LEU 166 N 0.71 0.00 -0.57 1.67 3.38 -1.19 -3.48 115.31 115.83 1n3t h LEU 166 Ca 0.31 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.15 1n3t h LEU 166 Cb 0.19 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.97 1n3t h LEU 166 CO -0.18 0.21 -0.20 0.61 0.09 0.00 0.00 178.44 178.98 1n3t n GLY 167 N 0.79 0.42 3.45 0.83 0.00 -0.43 -4.59 105.19 105.67 1n3t n GLY 167 Ca 0.02 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.93 0.04 -0.30 2.61 2.01 -1.17 -4.87 115.64 111.03 1n3t s THR 168 Ca 0.14 -1.06 0.18 0.00 0.31 0.00 0.00 61.69 61.25 1n3t s THR 168 Cb -0.06 -1.72 -0.24 0.00 0.01 0.00 0.00 72.50 70.48 1n3t s THR 168 CO 0.17 -0.19 0.51 0.59 -0.69 0.00 0.00 174.62 175.02 1n3t n ASN 169 N -0.29 0.90 -3.61 3.53 3.02 -1.26 -4.56 115.26 112.98 1n3t n ASN 169 Ca -0.08 -0.32 -0.43 0.00 -0.03 0.00 0.00 54.58 53.72 1n3t n ASN 169 Cb 0.63 1.52 -0.05 0.00 -0.61 0.00 0.00 39.78 41.27 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 -1.87 2.68 -3.99 6.41 3.02 -1.26 -1.28 115.26 118.98 1n3t n ASN 170 Ca -0.01 -2.68 -0.18 0.00 -0.03 0.00 0.00 54.58 51.68 1n3t n ASN 170 Cb 0.39 -1.15 -0.15 0.00 -0.61 0.00 0.00 39.78 38.27 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 4.83 0.64 -0.02 2.41 1.01 -1.26 -1.53 120.40 126.48 1n3t s VAL 171 Ca 0.56 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.25 1n3t s VAL 171 Cb 0.14 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.97 1n3t s VAL 171 CO 0.10 0.19 -0.08 0.00 0.00 0.00 0.00 175.10 175.31 1n3t s ALA 172 N -0.00 0.73 0.11 5.51 0.00 0.26 -0.39 121.76 127.97 1n3t s ALA 172 Ca 0.00 -0.29 0.06 0.00 0.00 0.00 0.00 51.96 51.73 1n3t s ALA 172 Cb -0.05 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 1n3t s ALA 172 CO -0.00 0.13 -0.16 0.08 0.00 0.00 0.00 175.76 175.81 1n3t s VAL 173 N 0.10 1.38 -0.26 0.00 1.01 -0.76 0.08 120.40 121.96 1n3t s VAL 173 Ca -0.01 -1.59 -0.11 0.00 0.00 0.00 0.00 61.98 60.26 1n3t s VAL 173 Cb -0.07 -1.44 0.10 0.00 0.00 0.00 0.00 36.38 34.97 1n3t s VAL 173 CO 0.00 -0.29 0.59 -0.55 0.00 0.00 0.00 175.10 174.85 1n3t s SER 174 N -2.18 -0.86 -0.13 3.32 0.15 0.02 -1.17 113.70 112.85 1n3t s SER 174 Ca 0.06 1.38 0.01 0.00 0.70 0.00 0.00 55.95 58.11 1n3t s SER 174 Cb -0.07 1.70 -0.00 0.00 -1.71 0.00 0.00 66.02 65.93 1n3t s SER 174 CO 0.03 -0.22 -0.18 -0.63 1.20 0.00 0.00 173.24 173.44 1n3t s ILE 175 N 2.31 2.54 -0.19 6.45 1.01 -0.45 0.62 121.20 133.49 1n3t s ILE 175 Ca -0.07 -0.83 -0.04 0.00 0.00 0.00 0.00 60.65 59.71 1n3t s ILE 175 Cb -0.10 -2.04 -0.02 0.00 0.01 0.00 0.00 42.46 40.32 1n3t s ILE 175 CO -0.17 0.53 -0.04 -0.62 0.00 0.00 0.00 174.94 174.64 1n3t s ASP 176 N 0.56 4.56 0.19 3.58 3.68 0.33 -1.86 116.67 127.72 1n3t s ASP 176 Ca -0.11 -0.26 -0.13 0.00 2.13 0.00 0.00 52.55 54.18 1n3t s ASP 176 Cb -0.16 -1.76 0.01 0.00 -1.45 0.00 0.00 42.92 39.55 1n3t s ASP 176 CO 0.04 0.07 0.41 0.00 0.13 0.00 0.00 175.17 175.83 1n3t s ALA 177 N 0.92 -0.43 -0.21 3.66 0.00 -0.32 -0.70 121.76 124.68 1n3t s ALA 177 Ca -0.00 -0.61 0.01 0.00 0.00 0.00 0.00 51.96 51.36 1n3t s ALA 177 Cb -0.15 0.88 0.05 0.00 0.00 0.00 0.00 23.12 23.91 1n3t s ALA 177 CO 0.01 -0.74 -0.10 0.08 0.00 0.00 0.00 175.76 175.01 1n3t s VAL 178 N -3.94 1.73 -0.31 0.00 1.01 -0.21 -0.36 120.40 118.33 1n3t s VAL 178 Ca 0.14 -1.14 -0.23 0.00 0.00 0.00 0.00 61.98 60.76 1n3t s VAL 178 Cb 0.01 -1.83 -0.00 0.00 0.00 0.00 0.00 36.38 34.56 1n3t s VAL 178 CO 0.00 0.11 0.74 -1.00 0.00 0.00 0.00 175.10 174.96 1n3t s HIS 179 N 1.34 3.20 -0.61 5.22 3.76 -1.26 -1.96 115.29 124.98 1n3t s HIS 179 Ca -0.03 0.74 0.16 0.00 -0.15 0.00 0.00 55.06 55.79 1n3t s HIS 179 Cb -0.17 -3.15 0.76 0.00 1.11 0.00 0.00 32.58 31.13 1n3t s HIS 179 CO -0.08 -0.54 1.50 0.66 -0.85 0.00 0.00 174.74 175.43 1n3t n TYR 180 N 6.11 0.46 1.86 1.40 4.02 -0.52 -0.89 117.16 129.60 1n3t n TYR 180 Ca 0.02 0.21 0.01 0.00 -0.01 0.00 0.00 57.90 58.12 1n3t n TYR 180 Cb 0.48 -0.83 0.01 0.00 -0.02 0.00 0.00 39.34 38.99 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 -1.94 0.21 0.00 7.72 3.41 -1.26 -0.83 113.62 120.93 1n3t n SER 181 Ca 0.01 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.62 1n3t n SER 181 Cb 0.11 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 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 -0.39 0.00 -0.00 -3.33 0.31 -0.07 -4.69 118.33 110.16 1n3t n VAL 182 Ca 0.01 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.13 1n3t n VAL 182 Cb 0.04 -0.35 -0.14 0.00 -0.91 0.00 0.00 33.84 32.48 1n3t n VAL 182 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1n3t h LYS 183 N 0.00 0.23 -0.23 5.55 3.64 -1.37 0.89 116.57 125.28 1n3t h LYS 183 Ca 0.00 -0.39 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1n3t h LYS 183 Cb 0.47 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1n3t h LYS 183 CO 0.00 1.18 0.00 0.00 -2.27 0.00 0.00 179.45 178.36 1n3t n ALA 184 N -3.00 2.46 -3.53 5.00 0.00 -0.01 -3.74 120.51 117.70 1n3t n ALA 184 Ca -0.26 -0.77 -0.09 0.00 0.00 0.00 0.00 53.44 52.32 1n3t n ALA 184 Cb 0.90 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 19.38 1n3t n ALA 184 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1n3t s ARG 185 N -1.71 0.73 6.07 0.00 1.70 -1.24 -4.97 118.95 119.53 1n3t s ARG 185 Ca 0.35 -0.19 0.00 0.00 -0.47 0.00 0.00 55.73 55.42 1n3t s ARG 185 Cb 0.21 0.34 0.00 0.00 -0.57 0.00 0.00 34.95 34.93 1n3t s ARG 185 CO 0.30 -0.30 0.00 0.41 -1.08 0.00 0.00 175.30 174.63 1n3t n GLY 186 N -0.03 1.58 0.25 3.88 0.00 -1.26 -3.28 105.19 106.33 1n3t n GLY 186 Ca -0.08 -0.66 0.11 0.00 0.00 0.00 0.00 46.02 45.39 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 0.64 -5.83 -0.61 2.04 -1.89 -3.47 117.51 108.39 1n3t h ILE 187 Ca 0.00 -0.65 -0.34 0.00 1.00 0.00 0.00 64.86 64.87 1n3t h ILE 187 Cb 0.00 1.41 0.14 0.00 -0.74 0.00 0.00 36.82 37.63 1n3t h ILE 187 CO 0.00 0.15 -0.90 0.54 0.00 0.00 0.00 178.15 177.94 1n3t n ARG 188 N -3.68 -1.91 -3.02 2.37 1.74 -0.99 -4.95 116.66 106.22 1n3t n ARG 188 Ca -0.02 0.67 -0.42 0.00 -0.77 0.00 0.00 57.85 57.31 1n3t n ARG 188 Cb 0.27 -5.02 -0.06 0.00 -1.02 0.00 0.00 32.46 26.63 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 -3.47 6.46 0.00 0.55 -1.08 0.27 -4.91 116.67 114.50 1n3t s ASP 189 Ca 0.45 0.13 0.30 0.00 -0.52 0.00 0.00 52.55 52.91 1n3t s ASP 189 Cb -0.11 -2.36 1.51 0.00 -1.46 0.00 0.00 42.92 40.49 1n3t s ASP 189 CO 0.80 -0.73 2.03 0.00 0.52 0.00 0.00 175.17 177.79 1n3t n ALA 190 N 6.34 2.61 0.00 3.66 0.00 -1.26 -3.91 120.51 127.95 1n3t n ALA 190 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1n3t n ALA 190 Cb 0.48 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 -1.09 0.00 -0.98 0.00 -2.24 -1.26 -5.10 114.28 103.61 1n3t n THR 191 Ca 0.17 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.64 1n3t n THR 191 Cb 0.23 -0.09 0.15 0.00 -2.10 0.00 0.00 70.33 68.52 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 -1.60 3.21 0.07 3.42 1.04 -1.26 -5.08 113.70 113.49 1n3t s SER 192 Ca 0.00 1.78 -0.20 0.00 0.48 0.00 0.00 55.95 58.00 1n3t s SER 192 Cb 0.00 -2.39 0.05 0.00 0.10 0.00 0.00 66.02 63.78 1n3t s SER 192 CO 0.00 -2.85 0.48 0.00 0.98 0.00 0.00 173.24 171.85 1n3t s ALA 193 N -2.78 -1.20 -0.18 5.32 0.00 -1.26 -4.88 121.76 116.79 1n3t s ALA 193 Ca 0.64 0.41 -0.03 0.00 0.00 0.00 0.00 51.96 52.98 1n3t s ALA 193 Cb -0.20 0.46 -0.02 0.00 0.00 0.00 0.00 23.12 23.36 1n3t s ALA 193 CO 0.58 -0.53 -0.05 0.99 0.00 0.00 0.00 175.76 176.75 1n3t s THR 194 N -2.75 3.54 -0.31 0.00 2.01 0.52 -4.93 115.64 113.70 1n3t s THR 194 Ca -0.04 -0.46 -0.05 0.00 0.31 0.00 0.00 61.69 61.45 1n3t s THR 194 Cb -0.00 -2.57 0.04 0.00 0.01 0.00 0.00 72.50 69.98 1n3t s THR 194 CO -0.04 0.46 0.06 -0.89 -0.69 0.00 0.00 174.62 173.52 1n3t s THR 195 N 0.86 3.50 0.04 -0.82 2.01 -1.26 -1.17 115.64 118.79 1n3t s THR 195 Ca -0.01 -1.14 0.08 0.00 0.31 0.00 0.00 61.69 60.93 1n3t s THR 195 Cb -0.15 -2.95 -0.03 0.00 0.01 0.00 0.00 72.50 69.39 1n3t s THR 195 CO 0.01 -0.09 -0.20 0.42 -0.69 0.00 0.00 174.62 174.08 1n3t s THR 196 N 1.37 2.65 0.05 -0.82 -4.23 -0.77 -5.01 115.64 108.88 1n3t s THR 196 Ca -0.02 -1.23 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 1n3t s THR 196 Cb -0.19 -2.10 -0.03 0.00 1.34 0.00 0.00 72.50 71.52 1n3t s THR 196 CO 0.01 0.34 -0.04 0.42 -0.54 0.00 0.00 174.62 174.81 1n3t s THR 197 N -0.90 0.33 -0.21 3.99 -4.23 -1.26 -1.34 115.64 112.02 1n3t s THR 197 Ca 0.14 -1.46 -0.03 0.00 -1.18 0.00 0.00 61.69 59.16 1n3t s THR 197 Cb -0.10 -1.04 0.07 0.00 1.34 0.00 0.00 72.50 72.76 1n3t s THR 197 CO 0.05 -0.73 0.07 -0.44 -0.54 0.00 0.00 174.62 173.02 1n3t s SER 198 N -2.31 2.90 -0.20 3.99 0.01 -0.31 -4.99 113.70 112.79 1n3t s SER 198 Ca -0.01 -0.88 -0.12 0.00 1.31 0.00 0.00 55.95 56.25 1n3t s SER 198 Cb -0.01 -0.48 -0.05 0.00 0.21 0.00 0.00 66.02 65.69 1n3t s SER 198 CO -0.05 -0.34 0.23 -0.76 0.41 0.00 0.00 173.24 172.73 1n3t s LEU 199 N 1.95 4.19 0.33 2.44 1.43 -1.26 -1.82 118.68 125.94 1n3t s LEU 199 Ca 0.02 0.33 0.07 0.00 -1.03 0.00 0.00 54.13 53.52 1n3t s LEU 199 Cb -0.17 -2.24 -0.02 0.00 0.03 0.00 0.00 46.19 43.79 1n3t s LEU 199 CO -0.13 0.09 0.32 -0.83 0.23 0.00 0.00 176.35 176.03 1n3t s GLY 200 N 0.66 1.72 0.00 -3.19 0.00 0.47 -4.58 107.32 102.40 1n3t s GLY 200 Ca 0.12 -1.60 0.00 0.00 0.00 0.00 0.00 44.72 43.24 1n3t s GLY 200 CO 0.03 -1.53 0.00 0.61 0.00 0.00 0.00 173.10 172.21 1n3t n GLY 201 N -1.41 1.41 0.46 0.20 0.00 -0.40 -1.39 105.19 104.05 1n3t n GLY 201 Ca -0.02 -0.11 0.28 0.00 0.00 0.00 0.00 46.02 46.17 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 0.25 -0.96 0.99 3.38 -1.95 0.34 115.31 117.37 1n3t h LEU 202 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1n3t h LEU 202 Cb 0.00 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1n3t h LEU 202 CO 0.00 0.04 0.05 0.49 0.09 0.00 0.00 178.44 179.11 1n3t n PHE 203 N -4.44 0.49 -0.04 1.13 3.72 -0.49 -0.79 117.46 117.04 1n3t n PHE 203 Ca 0.25 0.26 -0.05 0.00 -0.05 0.00 0.00 57.45 57.86 1n3t n PHE 203 Cb 1.04 -0.87 -0.05 0.00 -0.94 0.00 0.00 39.48 38.66 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 -2.00 1.15 -0.06 -1.08 4.81 0.12 -4.22 118.16 116.87 1n3t n LYS 204 Ca -0.01 0.03 -0.07 0.00 -0.87 0.00 0.00 58.31 57.39 1n3t n LYS 204 Cb 0.07 -1.18 -0.06 0.00 0.02 0.00 0.00 35.03 33.88 1n3t n LYS 204 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1n3t h SER 205 N 0.00 -0.00 -3.44 3.14 4.64 -1.12 -3.45 113.55 113.32 1n3t h SER 205 Ca -0.19 -0.49 -0.56 0.00 -0.47 0.00 0.00 61.79 60.07 1n3t h SER 205 Cb 1.35 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.38 1n3t h SER 205 CO -0.02 0.75 1.02 -0.55 -0.87 0.00 0.00 176.83 177.16 1n3t s SER 206 N -5.88 6.44 0.30 4.97 0.15 0.03 -4.92 113.70 114.80 1n3t s SER 206 Ca -0.09 0.67 0.05 0.00 0.70 0.00 0.00 55.95 57.28 1n3t s SER 206 Cb -0.01 -2.54 0.73 0.00 -1.71 0.00 0.00 66.02 62.48 1n3t s SER 206 CO 0.34 -1.38 1.76 -0.61 1.20 0.00 0.00 173.24 174.55 1n3t h GLN 207 N 10.17 0.68 0.04 5.44 5.75 -1.87 0.14 115.11 135.46 1n3t h GLN 207 Ca -0.26 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.20 1n3t h GLN 207 Cb 1.09 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.48 1n3t h GLN 207 CO 1.11 0.45 -0.02 -0.97 -2.65 0.00 0.00 178.83 176.75 1n3t h ASN 208 N 0.70 -0.05 -0.62 -0.69 -1.24 -1.93 -2.51 115.58 109.25 1n3t h ASN 208 Ca 0.57 -0.29 -0.05 0.00 0.71 0.00 0.00 56.30 57.23 1n3t h ASN 208 Cb 0.91 0.01 -0.03 0.00 0.73 0.00 0.00 38.32 39.95 1n3t h ASN 208 CO -0.40 0.27 0.18 0.74 -1.29 0.00 0.00 177.43 176.94 1n3t h THR 209 N -0.37 1.25 0.15 -3.57 2.02 -1.67 -2.36 112.91 108.36 1n3t h THR 209 Ca -0.01 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.33 1n3t h THR 209 Cb 0.34 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 1n3t h THR 209 CO 0.01 0.32 -0.38 -0.09 0.37 0.00 0.00 175.52 175.75 1n3t h ARG 210 N 0.88 -0.57 0.00 6.66 2.43 -0.73 -2.31 114.38 120.75 1n3t h ARG 210 Ca 0.20 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.40 1n3t h ARG 210 Cb 0.30 0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1n3t h ARG 210 CO -0.00 -0.38 -0.03 0.45 -1.51 0.00 0.00 179.97 178.49 1n3t h HIS 211 N -0.59 0.00 -0.10 2.20 3.86 -1.47 -1.53 115.15 117.51 1n3t h HIS 211 Ca -0.01 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.11 1n3t h HIS 211 Cb 0.57 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.03 1n3t h HIS 211 CO -0.36 0.03 -0.30 0.93 0.86 0.00 0.00 177.93 179.08 1n3t h GLU 212 N 0.00 0.20 0.02 2.45 5.08 -0.89 -1.32 114.58 120.12 1n3t h GLU 212 Ca -0.00 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1n3t h GLU 212 Cb 0.34 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1n3t h GLU 212 CO 0.00 0.49 -0.01 0.35 -1.00 0.00 0.00 179.01 178.84 1n3t h PHE 213 N 0.18 -0.03 -1.00 4.33 3.57 -0.85 -3.29 116.94 119.85 1n3t h PHE 213 Ca 0.02 -0.00 0.20 0.00 3.53 0.00 0.00 57.97 61.72 1n3t h PHE 213 Cb 0.63 0.01 -0.11 0.00 2.79 0.00 0.00 35.95 39.27 1n3t h PHE 213 CO 0.01 -0.02 0.61 -0.07 -2.23 0.00 0.00 178.31 176.61 1n3t h LEU 214 N -1.00 0.74 -1.35 0.59 3.38 -1.44 0.67 115.31 116.90 1n3t h LEU 214 Ca -0.00 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1n3t h LEU 214 Cb 0.02 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1n3t h LEU 214 CO 0.01 0.25 0.14 -0.09 0.09 0.00 0.00 178.44 178.83 1n3t h ARG 215 N 0.71 0.58 -0.90 1.13 2.43 -1.39 -1.40 114.38 115.54 1n3t h ARG 215 Ca 0.58 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.65 1n3t h ARG 215 Cb 0.97 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.41 1n3t h ARG 215 CO -0.37 0.50 0.02 0.00 -1.51 0.00 0.00 179.97 178.61 1n3t n ALA 216 N -2.47 2.94 -2.83 2.80 0.00 0.22 -4.89 120.51 116.27 1n3t n ALA 216 Ca 0.03 -0.56 -0.29 0.00 0.00 0.00 0.00 53.44 52.62 1n3t n ALA 216 Cb 0.16 -1.05 -0.05 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.42 4.79 -0.05 0.00 1.01 -0.53 -4.80 120.40 119.40 1n3t s VAL 217 Ca 0.15 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 1n3t s VAL 217 Cb 0.12 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 33.13 1n3t s VAL 217 CO 0.04 0.05 0.06 -1.14 0.00 0.00 0.00 175.10 174.11 1n3t n ARG 218 N 0.11 -0.20 -5.22 2.72 0.00 -1.26 -5.07 116.66 107.74 1n3t n ARG 218 Ca -0.08 0.64 -0.30 0.00 -0.00 0.00 0.00 57.85 58.11 1n3t n ARG 218 Cb 0.52 -1.90 -0.16 0.00 0.00 0.00 0.00 32.46 30.92 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 -1.67 2.24 -0.25 -0.14 3.76 -1.26 -5.12 115.29 112.84 1n3t s HIS 219 Ca 0.02 -0.49 -0.07 0.00 -0.15 0.00 0.00 55.06 54.36 1n3t s HIS 219 Cb -0.00 -1.45 -0.02 0.00 1.11 0.00 0.00 32.58 32.21 1n3t s HIS 219 CO 0.07 -0.09 0.07 -1.58 -0.85 0.00 0.00 174.74 172.36 1n3t s HIS 220 N -0.45 3.08 0.00 1.40 2.46 -1.26 -4.83 115.29 115.69 1n3t s HIS 220 Ca 0.06 -0.52 0.00 0.00 0.47 0.00 0.00 55.06 55.07 1n3t s HIS 220 Cb -0.11 -2.23 0.00 0.00 -0.13 0.00 0.00 32.58 30.11 1n3t s HIS 220 CO 0.00 -0.40 0.00 0.09 -2.47 0.00 0.00 174.74 171.97