#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h5k s LEU 2 N 0.00 4.23 -0.01 1.08 1.43 -1.26 -4.98 118.68 119.18 1h5k s LEU 2 Ca 0.00 2.28 -0.01 0.00 -1.03 0.00 0.00 54.13 55.38 1h5k s LEU 2 Cb 0.00 -4.00 0.00 0.00 0.03 0.00 0.00 46.19 42.23 1h5k s LEU 2 CO 0.00 -0.57 0.02 0.28 0.23 0.00 0.00 176.35 176.31 1h5k s THR 3 N -1.42 -0.00 0.56 5.49 -1.32 0.02 -4.69 115.64 114.28 1h5k s THR 3 Ca 0.55 0.00 0.36 0.00 -1.21 0.00 0.00 61.69 61.39 1h5k s THR 3 Cb -0.29 -0.04 0.39 0.00 -1.51 0.00 0.00 72.50 71.05 1h5k s THR 3 CO 0.37 0.00 2.26 -0.65 -2.21 0.00 0.00 174.62 174.39 1h5k h PRO 4 N 6.13 0.00 -0.27 7.08 0.11 -1.84 0.13 132.00 143.34 1h5k h PRO 4 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1h5k h PRO 4 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1h5k h PRO 4 CO 0.50 0.02 0.00 0.25 -0.21 0.00 0.00 178.00 178.56 1h5k n THR 5 N -3.44 0.34 -0.33 -1.15 -2.24 -1.26 -4.61 114.28 101.60 1h5k n THR 5 Ca -0.03 -0.48 0.25 0.00 -2.27 0.00 0.00 64.05 61.53 1h5k n THR 5 Cb 0.12 0.49 0.48 0.00 -2.10 0.00 0.00 70.33 69.32 1h5k n THR 5 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1h5k h PHE 6 N 2.76 0.71 -0.45 4.78 3.57 -1.76 -0.64 116.94 125.91 1h5k h PHE 6 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1h5k h PHE 6 Cb 0.61 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.20 1h5k h PHE 6 CO 0.17 -0.34 0.00 0.66 -2.23 0.00 0.00 178.31 176.57 1h5k n TYR 7 N -5.21 0.90 0.33 0.41 4.01 -1.26 -4.62 117.16 111.72 1h5k n TYR 7 Ca 0.32 -0.61 0.22 0.00 -0.16 0.00 0.00 57.90 57.67 1h5k n TYR 7 Cb 1.06 -0.15 1.17 0.00 -0.31 0.00 0.00 39.34 41.10 1h5k n TYR 7 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1h5k h ASP 8 N 2.76 0.00 0.00 7.72 3.32 -1.38 0.27 116.42 129.11 1h5k h ASP 8 Ca 0.00 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.84 1h5k h ASP 8 Cb 1.12 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.63 1h5k h ASP 8 CO 0.11 0.00 -1.80 0.59 -1.72 0.00 0.00 179.24 176.43 1h5k n ASN 9 N -3.06 2.62 0.13 6.45 3.02 -1.26 -4.28 115.26 118.89 1h5k n ASN 9 Ca -0.03 -0.03 0.02 0.00 -0.03 0.00 0.00 54.58 54.50 1h5k n ASN 9 Cb 0.09 -0.25 0.04 0.00 -0.61 0.00 0.00 39.78 39.05 1h5k n ASN 9 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1h5k h SER 10 N -0.08 0.00 0.00 6.41 4.64 -1.82 -3.41 113.55 119.28 1h5k h SER 10 Ca -0.32 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.80 1h5k h SER 10 Cb 1.46 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.41 1h5k h SER 10 CO -0.08 0.56 -0.40 0.00 -0.87 0.00 0.00 176.83 176.04 1h5k h PRO 12 N 3.63 0.00 -0.17 0.00 0.13 -1.58 -2.43 132.00 131.58 1h5k h PRO 12 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1h5k h PRO 12 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1h5k h PRO 12 CO 0.21 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.07 1h5k n ASN 13 N -3.75 1.86 -0.13 1.44 5.03 -1.26 -4.48 115.26 113.98 1h5k n ASN 13 Ca -0.01 -1.72 -0.04 0.00 0.87 0.00 0.00 54.58 53.67 1h5k n ASN 13 Cb 0.19 -0.11 0.04 0.00 -1.02 0.00 0.00 39.78 38.88 1h5k n ASN 13 CO 0.00 0.00 0.00 1.62 -1.83 0.00 0.00 177.26 177.05 1h5k h VAL 14 N 2.52 0.79 -0.82 2.41 3.04 -1.80 -1.25 116.25 121.14 1h5k h VAL 14 Ca 0.00 -0.08 -0.02 0.00 -1.01 0.00 0.00 66.70 65.60 1h5k h VAL 14 Cb 0.55 0.55 -0.04 0.00 -2.01 0.00 0.00 31.29 30.34 1h5k h VAL 14 CO 0.00 0.04 0.44 -1.28 -1.01 0.00 0.00 177.57 175.76 1h5k h SER 15 N 0.22 1.02 -0.14 3.17 0.87 -1.84 -1.56 113.55 115.29 1h5k h SER 15 Ca 0.20 -0.09 -0.12 0.00 -1.23 0.00 0.00 61.79 60.55 1h5k h SER 15 Cb 0.25 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 1h5k h SER 15 CO -0.26 0.83 -0.33 0.78 -0.53 0.00 0.00 176.83 177.32 1h5k h ASN 16 N 1.15 0.66 -0.49 6.23 2.35 -1.74 -1.02 115.58 122.71 1h5k h ASN 16 Ca 0.29 -0.27 -0.12 0.00 -0.55 0.00 0.00 56.30 55.65 1h5k h ASN 16 Cb 0.04 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 1h5k h ASN 16 CO -0.04 0.94 -0.17 0.40 -1.65 0.00 0.00 177.43 176.91 1h5k h ILE 17 N 0.54 1.27 -0.12 2.81 2.04 -0.86 -0.58 117.51 122.61 1h5k h ILE 17 Ca 0.06 -1.33 -0.01 0.00 1.00 0.00 0.00 64.86 64.58 1h5k h ILE 17 Cb 0.82 1.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.95 1h5k h ILE 17 CO 0.07 0.46 0.03 0.58 0.00 0.00 0.00 178.15 179.30 1h5k h VAL 18 N 0.87 1.19 -0.10 1.67 2.07 -1.14 -2.01 116.25 118.79 1h5k h VAL 18 Ca 0.12 -0.58 0.02 0.00 0.82 0.00 0.00 66.70 67.09 1h5k h VAL 18 Cb 0.74 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1h5k h VAL 18 CO 0.06 0.17 -0.04 -0.09 0.02 0.00 0.00 177.57 177.69 1h5k h ARG 19 N -0.00 -0.02 -0.82 1.57 2.43 -1.07 -2.00 114.38 114.47 1h5k h ARG 19 Ca 0.04 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.32 1h5k h ARG 19 Cb 0.24 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.71 1h5k h ARG 19 CO -0.00 -0.01 0.45 -0.44 -1.51 0.00 0.00 179.97 178.45 1h5k h ASP 20 N -0.02 0.61 -0.35 -3.80 3.32 -1.02 -0.02 116.42 115.12 1h5k h ASP 20 Ca 0.05 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 1h5k h ASP 20 Cb 0.10 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1h5k h ASP 20 CO -0.12 0.32 0.19 0.74 -1.72 0.00 0.00 179.24 178.65 1h5k h THR 21 N 0.72 1.15 -0.55 0.35 2.02 -0.90 -2.11 112.91 113.59 1h5k h THR 21 Ca 0.41 -0.41 -0.09 0.00 0.77 0.00 0.00 66.41 67.09 1h5k h THR 21 Cb 0.44 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 1h5k h THR 21 CO -0.28 0.16 -0.02 0.40 0.37 0.00 0.00 175.52 176.15 1h5k h ILE 22 N 0.44 1.26 -0.40 3.11 2.04 -0.64 -1.90 117.51 121.43 1h5k h ILE 22 Ca 0.12 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.86 1h5k h ILE 22 Cb 0.08 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1h5k h ILE 22 CO -0.02 0.40 0.26 0.58 0.00 0.00 0.00 178.15 179.38 1h5k h VAL 23 N 0.88 1.11 -0.38 1.67 2.07 -0.84 -0.25 116.25 120.52 1h5k h VAL 23 Ca 0.16 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 1h5k h VAL 23 Cb 0.54 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1h5k h VAL 23 CO 0.03 0.10 0.16 0.78 0.02 0.00 0.00 177.57 178.66 1h5k h ASN 24 N 0.54 0.51 -0.23 0.57 2.35 -1.22 -2.99 115.58 115.12 1h5k h ASN 24 Ca 0.15 -0.15 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 1h5k h ASN 24 Cb -0.06 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 1h5k h ASN 24 CO -0.03 0.52 -0.06 -0.08 -1.65 0.00 0.00 177.43 176.13 1h5k h GLU 25 N 0.46 0.58 -0.01 0.81 4.57 -1.10 -2.84 114.58 117.05 1h5k h GLU 25 Ca 0.13 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1h5k h GLU 25 Cb 0.16 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 28.68 1h5k h GLU 25 CO -0.01 0.65 0.02 -0.07 -1.18 0.00 0.00 179.01 178.41 1h5k h LEU 26 N 0.55 0.00 -0.60 1.64 3.38 -0.89 0.13 115.31 119.52 1h5k h LEU 26 Ca 0.11 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 1h5k h LEU 26 Cb 0.44 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1h5k h LEU 26 CO 0.02 0.00 0.02 0.03 0.09 0.00 0.00 178.44 178.60 1h5k h ARG 27 N 0.00 1.05 0.00 1.13 3.08 -1.53 -3.10 114.38 115.02 1h5k h ARG 27 Ca 0.01 -0.32 -0.10 0.00 0.07 0.00 0.00 59.98 59.63 1h5k h ARG 27 Cb 0.04 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1h5k h ARG 27 CO -0.00 1.02 -1.67 -1.13 -1.07 0.00 0.00 179.97 177.12 1h5k n SER 28 N -4.21 0.43 -3.52 7.04 3.41 -0.86 -4.75 113.62 111.15 1h5k n SER 28 Ca 0.03 0.18 -0.29 0.00 -0.26 0.00 0.00 58.87 58.53 1h5k n SER 28 Cb 0.33 0.99 -0.13 0.00 -0.26 0.00 0.00 64.21 65.15 1h5k n SER 28 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1h5k s ASP 29 N -5.20 3.20 0.00 4.04 2.15 0.39 -4.99 116.67 116.26 1h5k s ASP 29 Ca -0.05 -2.10 0.08 0.00 0.43 0.00 0.00 52.55 50.90 1h5k s ASP 29 Cb 0.10 -0.51 0.37 0.00 -0.30 0.00 0.00 42.92 42.58 1h5k s ASP 29 CO 0.84 -0.33 1.15 -0.81 -0.17 0.00 0.00 175.17 175.86 1h5k n PRO 30 N 4.18 0.08 0.01 4.34 -0.04 -1.17 -2.22 135.00 140.17 1h5k n PRO 30 Ca 0.08 0.26 0.11 0.00 -0.04 0.00 0.00 63.50 63.91 1h5k n PRO 30 Cb 0.38 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.33 1h5k n PRO 30 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1h5k n ARG 31 N -1.35 0.15 -0.12 0.54 0.63 -1.26 -4.50 116.66 110.75 1h5k n ARG 31 Ca 0.03 -0.02 0.12 0.00 -0.92 0.00 0.00 57.85 57.06 1h5k n ARG 31 Cb 0.07 -1.53 0.47 0.00 0.45 0.00 0.00 32.46 31.92 1h5k n ARG 31 CO 0.00 0.00 0.00 0.97 -2.51 0.00 0.00 177.63 176.09 1h5k h ILE 32 N 0.00 0.89 -0.19 5.15 6.09 -1.81 -1.41 117.51 126.23 1h5k h ILE 32 Ca 0.00 -0.16 -0.01 0.00 -1.37 0.00 0.00 64.86 63.32 1h5k h ILE 32 Cb 0.62 0.38 -0.01 0.00 0.47 0.00 0.00 36.82 38.28 1h5k h ILE 32 CO 0.00 0.09 0.08 0.00 -3.07 0.00 0.00 178.15 175.24 1h5k h ALA 33 N 1.67 0.25 -0.27 0.18 0.00 -1.82 -0.60 119.26 118.67 1h5k h ALA 33 Ca 0.30 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1h5k h ALA 33 Cb 0.56 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1h5k h ALA 33 CO -0.09 -0.16 0.14 0.00 0.00 0.00 0.00 179.25 179.14 1h5k h ALA 34 N 0.92 0.35 -0.98 0.00 0.00 -1.70 -2.36 119.26 115.48 1h5k h ALA 34 Ca 0.07 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1h5k h ALA 34 Cb 0.17 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 1h5k h ALA 34 CO -0.01 -0.12 0.64 0.77 0.00 0.00 0.00 179.25 180.54 1h5k h SER 35 N 0.32 1.05 -0.40 0.00 0.02 -1.08 -2.10 113.55 111.36 1h5k h SER 35 Ca 0.09 -0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.90 1h5k h SER 35 Cb 0.08 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1h5k h SER 35 CO -0.01 0.71 -0.28 0.40 -1.14 0.00 0.00 176.83 176.50 1h5k h ILE 36 N 1.21 1.28 -0.93 3.27 2.04 -0.92 -2.03 117.51 121.43 1h5k h ILE 36 Ca 0.40 -1.44 0.00 0.00 1.00 0.00 0.00 64.86 64.82 1h5k h ILE 36 Cb 0.05 1.32 -0.05 0.00 -0.74 0.00 0.00 36.82 37.40 1h5k h ILE 36 CO -0.14 0.48 0.59 0.25 0.00 0.00 0.00 178.15 179.34 1h5k h LEU 37 N 0.72 1.09 -1.03 1.44 5.85 -1.12 -2.07 115.31 120.18 1h5k h LEU 37 Ca 0.08 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 1h5k h LEU 37 Cb 0.86 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 1h5k h LEU 37 CO 0.08 0.81 -0.16 -0.09 -0.34 0.00 0.00 178.44 178.73 1h5k h ARG 38 N 1.27 0.51 -0.86 1.25 2.43 -1.18 -2.37 114.38 115.42 1h5k h ARG 38 Ca 0.34 -0.16 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 1h5k h ARG 38 Cb -0.11 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.35 1h5k h ARG 38 CO -0.07 0.65 0.43 -0.07 -1.51 0.00 0.00 179.97 179.40 1h5k h LEU 39 N 0.46 1.11 -0.54 3.80 3.38 -0.68 -0.51 115.31 122.34 1h5k h LEU 39 Ca 0.08 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1h5k h LEU 39 Cb 0.55 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1h5k h LEU 39 CO 0.04 0.92 0.09 -0.74 0.09 0.00 0.00 178.44 178.84 1h5k h HIS 40 N 1.22 0.95 0.16 1.13 2.76 -1.14 0.02 115.15 120.25 1h5k h HIS 40 Ca 0.30 -0.13 -0.01 0.00 -2.20 0.00 0.00 60.37 58.33 1h5k h HIS 40 Cb 0.10 -0.26 -0.00 0.00 1.55 0.00 0.00 27.41 28.79 1h5k h HIS 40 CO 0.01 0.84 -0.09 0.35 -1.30 0.00 0.00 177.93 177.74 1h5k h PHE 41 N 0.78 -0.23 0.00 5.26 3.57 -0.97 -0.31 116.94 125.03 1h5k h PHE 41 Ca 0.16 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1h5k h PHE 41 Cb 0.40 0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.22 1h5k h PHE 41 CO 0.03 -0.14 0.00 0.45 -2.23 0.00 0.00 178.31 176.41 1h5k h HIS 42 N -0.24 0.00 0.02 0.41 3.86 -0.96 -1.65 115.15 116.59 1h5k h HIS 42 Ca -0.02 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1h5k h HIS 42 Cb 0.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.66 1h5k h HIS 42 CO -0.08 0.00 -0.01 0.22 0.86 0.00 0.00 177.93 178.92 1h5k h ASP 43 N 0.00 -0.02 -0.09 2.45 3.58 -0.29 -3.35 116.42 118.71 1h5k h ASP 43 Ca 0.00 -0.74 -0.02 0.00 0.42 0.00 0.00 57.03 56.69 1h5k h ASP 43 Cb 0.36 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 1h5k h ASP 43 CO 0.00 0.77 0.00 0.00 -2.88 0.00 0.00 179.24 177.13 1h5k n PHE 45 N -4.40 0.00 -3.75 0.00 3.01 -0.65 -2.88 117.46 108.79 1h5k n PHE 45 Ca -0.00 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.16 1h5k n PHE 45 Cb 0.17 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 39.49 1h5k n PHE 45 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1h5k s VAL 46 N -2.00 0.94 -1.62 -4.37 1.01 -0.98 -4.68 120.40 108.70 1h5k s VAL 46 Ca 0.39 -1.42 0.00 0.00 0.00 0.00 0.00 61.98 60.94 1h5k s VAL 46 Cb 0.18 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.85 1h5k s VAL 46 CO 0.30 -0.65 0.00 -3.20 0.00 0.00 0.00 175.10 171.54 1h5k n ASN 47 N 4.82 -5.12 0.00 3.32 5.15 -1.26 -4.74 115.26 117.42 1h5k n ASN 47 Ca -0.02 0.38 0.00 0.00 -0.60 0.00 0.00 54.58 54.34 1h5k n ASN 47 Cb 0.42 -3.97 0.00 0.00 -0.53 0.00 0.00 39.78 35.70 1h5k n ASN 47 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1h5k n GLY 48 N -0.72 -0.71 3.57 8.20 0.00 -1.14 -4.64 105.19 109.74 1h5k n GLY 48 Ca -0.15 -1.71 -0.40 0.00 0.00 0.00 0.00 46.02 43.75 1h5k n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h5k n ASP 50 N 9.21 1.26 -1.60 0.00 5.75 -1.26 -4.73 116.55 125.18 1h5k n ASP 50 Ca 0.38 -2.35 -0.21 0.00 -0.01 0.00 0.00 54.79 52.60 1h5k n ASP 50 Cb 0.49 -0.25 -0.09 0.00 -1.03 0.00 0.00 41.12 40.25 1h5k n ASP 50 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1h5k n ALA 51 N -0.67 -0.31 0.11 2.12 0.00 -1.26 -0.99 120.51 119.50 1h5k n ALA 51 Ca 0.07 0.33 0.03 0.00 0.00 0.00 0.00 53.44 53.87 1h5k n ALA 51 Cb 0.59 -2.03 0.42 0.00 0.00 0.00 0.00 19.45 18.43 1h5k n ALA 51 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1h5k h SER 52 N 0.00 0.25 0.55 0.00 4.64 -1.86 -2.27 113.55 114.86 1h5k h SER 52 Ca -0.42 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 60.85 1h5k h SER 52 Cb 1.34 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1h5k h SER 52 CO 0.62 0.34 -0.07 -0.29 -0.87 0.00 0.00 176.83 176.56 1h5k h ILE 53 N 0.27 0.27 0.00 0.95 2.10 -1.88 -2.77 117.51 116.44 1h5k h ILE 53 Ca 0.06 -0.47 0.00 0.00 1.08 0.00 0.00 64.86 65.53 1h5k h ILE 53 Cb 0.26 1.36 0.00 0.00 -1.09 0.00 0.00 36.82 37.35 1h5k h ILE 53 CO 0.01 0.07 -0.02 0.18 -1.08 0.00 0.00 178.15 177.31 1h5k n LEU 54 N -3.32 0.84 -4.76 2.19 4.77 -0.85 -4.60 117.00 111.28 1h5k n LEU 54 Ca -0.01 0.57 -0.41 0.00 -0.03 0.00 0.00 56.01 56.13 1h5k n LEU 54 Cb 0.24 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 1h5k n LEU 54 CO 0.27 -0.18 0.89 -0.76 -1.33 0.00 0.00 177.39 176.28 1h5k s LEU 55 N -4.58 4.48 0.63 2.23 1.43 -1.05 -4.04 118.68 117.78 1h5k s LEU 55 Ca 0.10 2.41 -0.01 0.00 -1.03 0.00 0.00 54.13 55.61 1h5k s LEU 55 Cb 0.12 -3.63 0.07 0.00 0.03 0.00 0.00 46.19 42.78 1h5k s LEU 55 CO 0.60 -0.36 0.89 -1.81 0.23 0.00 0.00 176.35 175.90 1h5k s ASP 56 N -0.40 4.87 0.60 2.29 1.01 -0.53 -4.47 116.67 120.04 1h5k s ASP 56 Ca 0.49 -0.07 -0.19 0.00 0.71 0.00 0.00 52.55 53.49 1h5k s ASP 56 Cb -0.35 -0.59 -0.04 0.00 1.01 0.00 0.00 42.92 42.94 1h5k s ASP 56 CO 0.43 -1.47 1.09 0.59 0.21 0.00 0.00 175.17 176.03 1h5k n ASN 57 N -2.60 1.31 -4.10 0.27 3.02 -1.26 -4.65 115.26 107.25 1h5k n ASN 57 Ca 0.10 0.84 -0.10 0.00 -0.03 0.00 0.00 54.58 55.39 1h5k n ASN 57 Cb 0.60 -1.45 -0.09 0.00 -0.61 0.00 0.00 39.78 38.23 1h5k n ASN 57 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1h5k s THR 58 N -1.45 0.07 -1.07 3.41 -4.23 -0.96 -4.99 115.64 106.43 1h5k s THR 58 Ca 0.76 -1.76 0.21 0.00 -1.18 0.00 0.00 61.69 59.73 1h5k s THR 58 Cb -0.41 -2.08 0.21 0.00 1.34 0.00 0.00 72.50 71.55 1h5k s THR 58 CO 0.46 -0.31 1.69 0.35 -0.54 0.00 0.00 174.62 176.27 1h5k n THR 59 N -0.17 0.50 -0.08 3.99 -2.24 -1.26 -3.31 114.28 111.70 1h5k n THR 59 Ca -0.04 0.12 -0.06 0.00 -2.27 0.00 0.00 64.05 61.80 1h5k n THR 59 Cb 0.64 -0.76 -0.16 0.00 -2.10 0.00 0.00 70.33 67.95 1h5k n THR 59 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1h5k n SER 60 N -1.47 0.02 -3.83 3.42 3.41 -1.26 -5.00 113.62 108.91 1h5k n SER 60 Ca 0.06 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.55 1h5k n SER 60 Cb 0.24 1.16 -0.11 0.00 -0.26 0.00 0.00 64.21 65.24 1h5k n SER 60 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1h5k s PHE 61 N -2.66 -0.10 0.41 7.33 -0.12 -1.21 -5.14 117.98 116.49 1h5k s PHE 61 Ca -0.10 0.22 -0.15 0.00 -0.05 0.00 0.00 56.93 56.86 1h5k s PHE 61 Cb 0.07 0.02 -0.08 0.00 -0.63 0.00 0.00 43.02 42.40 1h5k s PHE 61 CO 0.84 -0.20 0.83 1.03 -0.05 0.00 0.00 175.22 177.67 1h5k s ARG 62 N -0.62 3.95 0.36 1.99 1.81 -1.26 -2.25 118.95 122.93 1h5k s ARG 62 Ca -0.07 0.73 -0.25 0.00 -1.72 0.00 0.00 55.73 54.42 1h5k s ARG 62 Cb -0.04 -2.32 -0.10 0.00 -0.45 0.00 0.00 34.95 32.04 1h5k s ARG 62 CO 0.01 -0.02 0.97 -0.08 -0.68 0.00 0.00 175.30 175.49 1h5k s THR 63 N -2.28 4.15 -0.91 0.02 -1.32 -1.26 -4.15 115.64 109.89 1h5k s THR 63 Ca 0.55 1.66 0.17 0.00 -1.21 0.00 0.00 61.69 62.86 1h5k s THR 63 Cb -0.10 -3.86 0.15 0.00 -1.51 0.00 0.00 72.50 67.18 1h5k s THR 63 CO 0.24 0.02 1.54 -0.62 -2.21 0.00 0.00 174.62 173.59 1h5k n GLU 64 N 0.19 0.04 0.16 7.08 1.02 -1.26 -2.57 120.64 125.29 1h5k n GLU 64 Ca 0.04 0.26 0.12 0.00 -0.02 0.00 0.00 57.16 57.56 1h5k n GLU 64 Cb 0.51 -1.57 0.57 0.00 -0.02 0.00 0.00 31.44 30.93 1h5k n GLU 64 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1h5k h LYS 65 N 0.00 0.00 -0.60 3.49 1.57 -1.85 -1.40 116.57 117.78 1h5k h LYS 65 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1h5k h LYS 65 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1h5k h LYS 65 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.63 1h5k n ASP 66 N -2.31 4.20 -4.79 0.86 8.00 -1.06 -2.59 116.55 118.86 1h5k n ASP 66 Ca 0.00 -2.29 -0.32 0.00 0.71 0.00 0.00 54.79 52.89 1h5k n ASP 66 Cb 0.14 -0.50 0.04 0.00 -0.02 0.00 0.00 41.12 40.78 1h5k n ASP 66 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h5k s ALA 67 N -1.55 2.60 0.53 2.24 0.00 -0.53 -4.68 121.76 120.38 1h5k s ALA 67 Ca 0.46 0.37 0.19 0.00 0.00 0.00 0.00 51.96 52.97 1h5k s ALA 67 Cb 0.28 -3.25 1.37 0.00 0.00 0.00 0.00 23.12 21.52 1h5k s ALA 67 CO 0.25 -1.12 2.17 0.74 0.00 0.00 0.00 175.76 177.80 1h5k h PHE 68 N -0.06 0.00 0.00 0.00 0.04 -1.91 0.18 116.94 115.19 1h5k h PHE 68 Ca -0.46 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.31 1h5k h PHE 68 Cb 1.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.38 1h5k h PHE 68 CO 0.58 0.00 -0.33 0.41 -0.60 0.00 0.00 178.31 178.38 1h5k n GLY 69 N -1.49 -1.46 0.06 -1.45 0.00 -1.26 -4.31 105.19 95.28 1h5k n GLY 69 Ca -0.03 -0.19 -0.08 0.00 0.00 0.00 0.00 46.02 45.71 1h5k n GLY 69 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1h5k n ASN 70 N -1.87 2.83 -4.66 1.61 3.02 -0.52 -4.54 115.26 111.12 1h5k n ASN 70 Ca 0.05 -0.06 -0.47 0.00 -0.03 0.00 0.00 54.58 54.08 1h5k n ASN 70 Cb 0.39 0.01 -0.04 0.00 -0.61 0.00 0.00 39.78 39.53 1h5k n ASN 70 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1h5k n ALA 71 N -2.78 1.05 -3.72 5.41 0.00 0.52 -0.53 120.51 120.46 1h5k n ALA 71 Ca -0.22 0.44 -0.28 0.00 0.00 0.00 0.00 53.44 53.37 1h5k n ALA 71 Cb 0.77 -2.33 0.01 0.00 0.00 0.00 0.00 19.45 17.90 1h5k n ALA 71 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1h5k n ASN 72 N 3.62 -4.41 0.19 0.00 5.15 -1.26 -4.69 115.26 113.87 1h5k n ASN 72 Ca 0.18 -0.65 0.00 0.00 -0.60 0.00 0.00 54.58 53.50 1h5k n ASN 72 Cb 0.28 -3.56 0.00 0.00 -0.53 0.00 0.00 39.78 35.96 1h5k n ASN 72 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1h5k n SER 73 N -2.61 -2.22 -4.77 1.20 2.88 -0.58 -5.10 113.62 102.40 1h5k n SER 73 Ca 0.02 0.70 -0.40 0.00 -1.33 0.00 0.00 58.87 57.86 1h5k n SER 73 Cb 0.53 2.18 -0.01 0.00 -0.75 0.00 0.00 64.21 66.17 1h5k n SER 73 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1h5k s ALA 74 N -2.00 3.46 0.27 -1.46 0.00 0.31 -5.01 121.76 117.33 1h5k s ALA 74 Ca 0.00 1.41 -0.13 0.00 0.00 0.00 0.00 51.96 53.24 1h5k s ALA 74 Cb 0.00 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1h5k s ALA 74 CO 0.00 -0.91 0.52 -0.98 0.00 0.00 0.00 175.76 174.39 1h5k s ARG 75 N -2.07 1.64 0.00 0.00 1.70 -1.26 -4.95 118.95 114.00 1h5k s ARG 75 Ca 0.53 -1.27 0.00 0.00 -0.47 0.00 0.00 55.73 54.52 1h5k s ARG 75 Cb -0.43 0.49 0.00 0.00 -0.57 0.00 0.00 34.95 34.44 1h5k s ARG 75 CO 0.57 -0.69 0.00 0.41 -1.08 0.00 0.00 175.30 174.51 1h5k n GLY 76 N -0.41 0.53 0.31 3.88 0.00 -1.26 -4.60 105.19 103.64 1h5k n GLY 76 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.06 1h5k n GLY 76 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1h5k h PHE 77 N 0.00 0.78 -0.42 1.61 0.04 -1.98 -1.47 116.94 115.50 1h5k h PHE 77 Ca 0.00 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.76 1h5k h PHE 77 Cb 0.00 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 37.91 1h5k h PHE 77 CO 0.00 0.22 0.08 -1.35 -0.60 0.00 0.00 178.31 176.66 1h5k h PRO 78 N 0.66 0.64 -0.53 1.51 0.11 -1.99 -1.84 132.00 130.55 1h5k h PRO 78 Ca 0.45 -0.12 -0.07 0.00 0.11 0.00 0.00 66.00 66.37 1h5k h PRO 78 Cb 0.58 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.57 1h5k h PRO 78 CO -0.34 0.60 0.05 0.28 -0.21 0.00 0.00 178.00 178.38 1h5k h VAL 79 N 0.62 1.24 -0.54 3.15 2.07 -1.71 -0.91 116.25 120.17 1h5k h VAL 79 Ca 0.14 -0.97 -0.11 0.00 0.82 0.00 0.00 66.70 66.58 1h5k h VAL 79 Cb 0.26 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1h5k h VAL 79 CO -0.00 0.35 -0.10 0.40 0.02 0.00 0.00 177.57 178.24 1h5k h ILE 80 N 0.81 1.27 -0.97 4.57 1.08 -0.96 -1.99 117.51 121.31 1h5k h ILE 80 Ca 0.16 -1.26 0.00 0.00 -0.39 0.00 0.00 64.86 63.38 1h5k h ILE 80 Cb 0.41 0.95 -0.05 0.00 -3.07 0.00 0.00 36.82 35.07 1h5k h ILE 80 CO 0.01 0.44 0.61 0.44 -0.69 0.00 0.00 178.15 178.97 1h5k h ASP 81 N 0.91 1.14 0.11 1.72 3.32 -0.76 -0.87 116.42 121.98 1h5k h ASP 81 Ca 0.14 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1h5k h ASP 81 Cb 0.66 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1h5k h ASP 81 CO 0.05 0.85 -0.05 -0.09 -1.72 0.00 0.00 179.24 178.28 1h5k h ARG 82 N 1.32 -0.14 -0.20 3.56 2.43 -0.74 -1.07 114.38 119.55 1h5k h ARG 82 Ca 0.35 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.45 1h5k h ARG 82 Cb -0.10 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1h5k h ARG 82 CO -0.07 0.02 -0.24 0.00 -1.51 0.00 0.00 179.97 178.16 1h5k h MET 83 N -0.27 0.37 -0.44 0.20 -0.00 -1.21 -1.83 114.93 111.76 1h5k h MET 83 Ca -0.01 -0.13 -0.02 0.00 -0.00 0.00 0.00 59.70 59.54 1h5k h MET 83 Cb 0.22 -0.03 -0.02 0.00 -0.00 0.00 0.00 31.60 31.77 1h5k h MET 83 CO 0.02 0.60 0.20 -0.22 -0.00 0.00 0.00 176.91 177.51 1h5k h LYS 84 N 0.33 0.64 -0.68 -0.10 1.63 -0.96 0.84 116.57 118.26 1h5k h LYS 84 Ca 0.05 -0.10 -0.01 0.00 -0.85 0.00 0.00 60.65 59.74 1h5k h LYS 84 Cb 0.61 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 32.10 1h5k h LYS 84 CO 0.04 0.56 0.38 0.00 -3.45 0.00 0.00 179.45 176.98 1h5k h ALA 85 N 1.04 0.87 -0.52 5.00 0.00 -0.90 0.19 119.26 124.95 1h5k h ALA 85 Ca 0.15 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1h5k h ALA 85 Cb 0.14 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1h5k h ALA 85 CO -0.02 0.39 0.03 0.00 0.00 0.00 0.00 179.25 179.65 1h5k h ALA 86 N 1.19 1.07 -0.11 0.00 0.00 -0.99 -1.49 119.26 118.94 1h5k h ALA 86 Ca 0.24 -0.26 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 1h5k h ALA 86 Cb 0.04 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1h5k h ALA 86 CO -0.04 0.59 -0.75 0.28 0.00 0.00 0.00 179.25 179.33 1h5k h VAL 87 N 0.81 1.34 -0.23 0.00 2.07 -0.36 -2.54 116.25 117.34 1h5k h VAL 87 Ca 0.16 -2.07 -0.05 0.00 0.82 0.00 0.00 66.70 65.56 1h5k h VAL 87 Cb 0.44 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 1h5k h VAL 87 CO 0.02 0.64 -0.09 -0.33 0.02 0.00 0.00 177.57 177.82 1h5k h GLU 88 N 0.39 0.36 -0.26 1.57 4.39 -0.37 0.44 114.58 121.09 1h5k h GLU 88 Ca -0.04 -0.08 -0.09 0.00 0.34 0.00 0.00 59.36 59.49 1h5k h GLU 88 Cb 1.35 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.95 1h5k h GLU 88 CO 0.14 0.46 -0.20 1.03 -1.16 0.00 0.00 179.01 179.28 1h5k h SER 89 N 0.34 0.62 0.36 1.42 0.87 -1.15 -1.64 113.55 114.38 1h5k h SER 89 Ca 0.07 -0.45 -0.21 0.00 -1.23 0.00 0.00 61.79 59.97 1h5k h SER 89 Cb 0.38 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1h5k h SER 89 CO 0.02 0.94 -0.87 0.00 -0.53 0.00 0.00 176.83 176.38 1h5k h ALA 90 N 0.70 0.45 -2.11 6.23 0.00 -1.09 -3.40 119.26 120.04 1h5k h ALA 90 Ca 0.05 -0.69 -0.50 0.00 0.00 0.00 0.00 54.91 53.77 1h5k h ALA 90 Cb 0.74 -0.04 -0.34 0.00 0.00 0.00 0.00 17.79 18.15 1h5k h ALA 90 CO 0.05 0.82 -0.87 0.00 0.00 0.00 0.00 179.25 179.25 1h5k n PRO 92 N 3.02 1.27 -4.26 0.00 -0.02 -0.62 -2.96 135.00 131.43 1h5k n PRO 92 Ca 0.26 0.45 -0.35 0.00 -2.02 0.00 0.00 63.50 61.84 1h5k n PRO 92 Cb 0.48 -1.99 -0.05 0.00 -0.02 0.00 0.00 33.50 31.93 1h5k n PRO 92 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1h5k n ARG 93 N 1.90 -2.26 -0.01 -0.52 1.74 -1.26 -4.86 116.66 111.39 1h5k n ARG 93 Ca 0.15 0.28 -0.04 0.00 -0.77 0.00 0.00 57.85 57.47 1h5k n ARG 93 Cb 0.25 -4.64 -0.01 0.00 -1.02 0.00 0.00 32.46 27.04 1h5k n ARG 93 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1h5k n THR 94 N -4.35 0.32 -3.30 0.55 -1.04 -1.16 -5.00 114.28 100.30 1h5k n THR 94 Ca -0.06 -0.01 -0.39 0.00 -2.04 0.00 0.00 64.05 61.54 1h5k n THR 94 Cb 0.56 -1.57 -0.08 0.00 -1.82 0.00 0.00 70.33 67.42 1h5k n THR 94 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1h5k s VAL 95 N -2.08 5.12 0.70 12.58 1.01 -1.26 -5.04 120.40 131.44 1h5k s VAL 95 Ca -0.05 0.79 -0.14 0.00 0.00 0.00 0.00 61.98 62.58 1h5k s VAL 95 Cb 0.02 -3.78 0.02 0.00 0.00 0.00 0.00 36.38 32.64 1h5k s VAL 95 CO 0.07 0.15 1.11 -0.94 0.00 0.00 0.00 175.10 175.49 1h5k s SER 96 N 1.41 4.84 0.30 3.32 1.04 -1.26 -4.82 113.70 118.53 1h5k s SER 96 Ca 0.20 1.98 0.05 0.00 0.48 0.00 0.00 55.95 58.66 1h5k s SER 96 Cb -0.15 -2.55 0.49 0.00 0.10 0.00 0.00 66.02 63.91 1h5k s SER 96 CO 0.09 -1.81 1.76 0.00 0.98 0.00 0.00 173.24 174.25 1h5k h ALA 98 N 1.39 0.59 -0.31 0.00 0.00 -1.86 -0.25 119.26 118.83 1h5k h ALA 98 Ca 0.05 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1h5k h ALA 98 Cb 0.64 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1h5k h ALA 98 CO 0.05 0.07 -0.36 -0.44 0.00 0.00 0.00 179.25 178.57 1h5k h ASP 99 N 0.62 0.85 -0.45 0.00 3.32 -1.74 -2.60 116.42 116.41 1h5k h ASP 99 Ca 0.17 -0.49 0.06 0.00 0.02 0.00 0.00 57.03 56.79 1h5k h ASP 99 Cb -0.02 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.24 1h5k h ASP 99 CO -0.03 1.16 0.16 0.25 -1.72 0.00 0.00 179.24 179.06 1h5k h LEU 100 N 0.55 0.16 -1.12 1.55 5.85 -0.82 0.01 115.31 121.50 1h5k h LEU 100 Ca 0.04 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 1h5k h LEU 100 Cb 0.94 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 1h5k h LEU 100 CO 0.09 0.13 -0.16 0.25 -0.34 0.00 0.00 178.44 178.41 1h5k h LEU 101 N 0.33 0.42 -0.25 2.25 5.85 -1.03 0.01 115.31 122.89 1h5k h LEU 101 Ca 0.21 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 1h5k h LEU 101 Cb 0.21 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1h5k h LEU 101 CO -0.22 0.61 -0.03 0.74 -0.34 0.00 0.00 178.44 179.19 1h5k h THR 102 N 0.40 1.27 -0.57 1.05 2.02 -0.90 -1.05 112.91 115.14 1h5k h THR 102 Ca 0.07 -1.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.22 1h5k h THR 102 Cb 0.51 1.42 -0.03 0.00 -1.74 0.00 0.00 68.15 68.32 1h5k h THR 102 CO 0.03 0.31 0.24 0.40 0.37 0.00 0.00 175.52 176.87 1h5k h ILE 103 N 0.22 1.22 -0.87 3.11 2.04 -0.77 -2.04 117.51 120.41 1h5k h ILE 103 Ca 0.07 -0.67 0.05 0.00 1.00 0.00 0.00 64.86 65.30 1h5k h ILE 103 Cb 0.48 0.61 -0.06 0.00 -0.74 0.00 0.00 36.82 37.11 1h5k h ILE 103 CO 0.02 0.26 0.56 0.00 0.00 0.00 0.00 178.15 178.99 1h5k h ALA 104 N 1.08 1.18 -0.38 1.87 0.00 -0.83 0.18 119.26 122.35 1h5k h ALA 104 Ca 0.19 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1h5k h ALA 104 Cb 0.18 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1h5k h ALA 104 CO -0.02 0.36 0.13 0.00 0.00 0.00 0.00 179.25 179.72 1h5k h ALA 105 N 1.38 0.50 -0.21 0.00 0.00 -0.81 0.49 119.26 120.61 1h5k h ALA 105 Ca 0.36 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1h5k h ALA 105 Cb 0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1h5k h ALA 105 CO -0.14 0.13 0.05 0.37 0.00 0.00 0.00 179.25 179.65 1h5k h GLN 106 N 0.47 0.34 -0.38 0.00 -0.00 -0.71 -1.86 115.11 112.95 1h5k h GLN 106 Ca 0.12 -0.08 -0.03 0.00 -0.00 0.00 0.00 58.65 58.66 1h5k h GLN 106 Cb 0.24 -0.04 -0.02 0.00 0.00 0.00 0.00 27.48 27.65 1h5k h GLN 106 CO -0.01 0.46 0.10 1.96 0.00 0.00 0.00 178.83 181.35 1h5k h GLN 107 N 0.15 0.56 -0.43 1.69 1.08 -0.57 -1.61 115.11 115.99 1h5k h GLN 107 Ca 0.07 -0.09 -0.04 0.00 -1.45 0.00 0.00 58.65 57.13 1h5k h GLN 107 Cb 0.28 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 1h5k h GLN 107 CO 0.00 0.51 0.10 0.77 -0.95 0.00 0.00 178.83 179.26 1h5k h SER 108 N 0.55 0.65 -0.40 1.46 0.02 -0.66 0.19 113.55 115.38 1h5k h SER 108 Ca 0.13 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 1h5k h SER 108 Cb 0.20 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 1h5k h SER 108 CO -0.01 0.72 0.22 0.58 -1.14 0.00 0.00 176.83 177.21 1h5k h VAL 109 N 0.56 1.15 -0.38 2.27 2.07 -0.85 -1.98 116.25 119.09 1h5k h VAL 109 Ca 0.13 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 1h5k h VAL 109 Cb 0.33 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1h5k h VAL 109 CO 0.00 0.15 0.09 0.74 0.02 0.00 0.00 177.57 178.57 1h5k h THR 110 N 0.51 1.23 0.00 2.57 2.02 -1.14 0.15 112.91 118.24 1h5k h THR 110 Ca 0.14 -0.78 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 1h5k h THR 110 Cb 0.05 1.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1h5k h THR 110 CO -0.02 0.27 -0.05 -0.07 0.37 0.00 0.00 175.52 176.01 1h5k h LEU 111 N 0.46 0.00 -0.30 2.58 3.38 -0.82 -0.22 115.31 120.39 1h5k h LEU 111 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1h5k h LEU 111 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1h5k h LEU 111 CO 0.00 0.05 0.00 0.00 0.09 0.00 0.00 178.44 178.58 1h5k n ALA 112 N -2.51 2.61 0.00 1.53 0.00 -0.76 -4.86 120.51 116.53 1h5k n ALA 112 Ca -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1h5k n ALA 112 Cb 0.14 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1h5k n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h5k n GLY 113 N 0.95 0.76 0.00 0.00 0.00 -0.09 -0.54 105.19 106.27 1h5k n GLY 113 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1h5k n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h5k n GLY 114 N -1.74 -0.84 3.75 -0.02 0.00 0.48 -4.79 105.19 102.03 1h5k n GLY 114 Ca 0.00 -1.71 -0.31 0.00 0.00 0.00 0.00 46.02 44.00 1h5k n GLY 114 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1h5k s PRO 115 N -2.78 2.02 -0.11 1.61 0.04 -1.26 -4.49 135.00 130.03 1h5k s PRO 115 Ca 0.00 1.27 0.03 0.00 0.04 0.00 0.00 61.00 62.34 1h5k s PRO 115 Cb 0.00 -1.86 -0.00 0.00 0.04 0.00 0.00 34.50 32.68 1h5k s PRO 115 CO 0.00 -1.84 -0.22 0.45 0.04 0.00 0.00 177.00 175.43 1h5k s SER 116 N -3.18 3.22 0.20 6.66 0.15 -1.26 -3.93 113.70 115.56 1h5k s SER 116 Ca 0.63 -0.53 -0.21 0.00 0.70 0.00 0.00 55.95 56.53 1h5k s SER 116 Cb -0.19 -1.44 0.05 0.00 -1.71 0.00 0.00 66.02 62.73 1h5k s SER 116 CO 0.56 0.16 0.62 -1.66 1.20 0.00 0.00 173.24 174.12 1h5k s TRP 117 N 0.37 -0.36 -0.31 3.44 -2.14 -1.26 -5.13 118.94 113.55 1h5k s TRP 117 Ca -0.17 0.05 -0.13 0.00 2.66 0.00 0.00 56.10 58.51 1h5k s TRP 117 Cb -0.18 0.58 -0.03 0.00 -3.10 0.00 0.00 33.47 30.74 1h5k s TRP 117 CO 0.08 -0.98 0.27 1.03 -2.66 0.00 0.00 176.95 174.69 1h5k s ARG 118 N -3.82 3.77 0.44 3.25 0.52 -1.26 -4.98 118.95 116.88 1h5k s ARG 118 Ca 0.05 -0.35 -0.21 0.00 -0.52 0.00 0.00 55.73 54.70 1h5k s ARG 118 Cb -0.03 -3.73 -0.10 0.00 0.52 0.00 0.00 34.95 31.62 1h5k s ARG 118 CO -0.05 -0.34 1.00 0.14 0.02 0.00 0.00 175.30 176.07 1h5k s VAL 119 N 1.87 4.04 0.52 3.52 -7.23 -1.26 -4.83 120.40 117.03 1h5k s VAL 119 Ca 0.09 1.33 -0.22 0.00 -1.81 0.00 0.00 61.98 61.38 1h5k s VAL 119 Cb -0.16 -3.57 -0.06 0.00 0.56 0.00 0.00 36.38 33.15 1h5k s VAL 119 CO 0.11 -0.22 1.28 -2.84 -0.31 0.00 0.00 175.10 173.12 1h5k s PRO 120 N -3.05 3.34 0.25 4.82 0.02 -1.26 -4.11 135.00 135.00 1h5k s PRO 120 Ca 0.63 2.04 0.02 0.00 0.02 0.00 0.00 61.00 63.71 1h5k s PRO 120 Cb -0.14 -2.28 -0.05 0.00 0.02 0.00 0.00 34.50 32.04 1h5k s PRO 120 CO 0.18 -0.97 0.07 -0.51 -0.33 0.00 0.00 177.00 175.44 1h5k s LEU 121 N -3.40 1.79 0.00 -5.54 1.43 0.42 -4.77 118.68 108.61 1h5k s LEU 121 Ca 0.69 -1.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 1h5k s LEU 121 Cb -0.36 -0.04 0.00 0.00 0.03 0.00 0.00 46.19 45.82 1h5k s LEU 121 CO 0.42 -0.68 0.00 0.61 0.23 0.00 0.00 176.35 176.93 1h5k n GLY 122 N -0.44 0.62 3.77 -3.19 0.00 -1.26 -0.80 105.19 103.89 1h5k n GLY 122 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1h5k n GLY 122 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1h5k s ARG 123 N 0.00 3.07 0.30 1.61 0.52 -1.26 -4.48 118.95 118.71 1h5k s ARG 123 Ca 0.00 1.50 0.09 0.00 -0.52 0.00 0.00 55.73 56.79 1h5k s ARG 123 Cb 0.00 -1.98 -0.06 0.00 0.52 0.00 0.00 34.95 33.43 1h5k s ARG 123 CO 0.00 -1.06 -0.10 1.03 0.02 0.00 0.00 175.30 175.20 1h5k s ARG 124 N -3.70 1.66 0.15 3.54 0.52 0.68 -4.50 118.95 117.30 1h5k s ARG 124 Ca 0.70 -1.83 -0.22 0.00 -0.52 0.00 0.00 55.73 53.86 1h5k s ARG 124 Cb -0.22 -1.45 -0.08 0.00 0.52 0.00 0.00 34.95 33.72 1h5k s ARG 124 CO 0.34 0.13 0.69 -0.51 0.02 0.00 0.00 175.30 175.97 1h5k s ASP 125 N -3.51 7.18 0.79 0.23 1.01 0.72 -4.42 116.67 118.68 1h5k s ASP 125 Ca 0.30 1.44 -0.12 0.00 0.71 0.00 0.00 52.55 54.89 1h5k s ASP 125 Cb 0.02 -2.43 0.07 0.00 1.01 0.00 0.00 42.92 41.59 1h5k s ASP 125 CO 0.14 0.19 1.13 -0.94 0.21 0.00 0.00 175.17 175.90 1h5k s SER 126 N -1.27 4.07 0.00 0.27 1.04 -0.16 -1.81 113.70 115.84 1h5k s SER 126 Ca 0.35 2.05 0.22 0.00 0.48 0.00 0.00 55.95 59.05 1h5k s SER 126 Cb -0.20 -2.55 0.38 0.00 0.10 0.00 0.00 66.02 63.75 1h5k s SER 126 CO 0.22 -2.33 1.35 0.18 0.98 0.00 0.00 173.24 173.65 1h5k n LEU 127 N -3.43 3.34 -3.74 2.42 4.77 -1.26 -4.80 117.00 114.30 1h5k n LEU 127 Ca 0.11 -1.45 -0.06 0.00 -0.03 0.00 0.00 56.01 54.58 1h5k n LEU 127 Cb 0.52 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.38 1h5k n LEU 127 CO 0.50 0.71 0.60 0.00 -1.33 0.00 0.00 177.39 177.87 1h5k s GLN 128 N -1.48 1.39 0.20 3.23 -2.07 -1.26 -4.98 119.66 114.69 1h5k s GLN 128 Ca 0.36 -0.73 0.07 0.00 -1.82 0.00 0.00 55.36 53.24 1h5k s GLN 128 Cb 0.21 0.50 -0.04 0.00 -1.09 0.00 0.00 33.01 32.59 1h5k s GLN 128 CO 0.30 -0.63 0.04 0.00 -1.32 0.00 0.00 175.29 173.68 1h5k s ALA 129 N -3.54 3.29 -0.60 2.60 0.00 -1.26 -4.75 121.76 117.50 1h5k s ALA 129 Ca 0.10 -1.41 0.05 0.00 0.00 0.00 0.00 51.96 50.70 1h5k s ALA 129 Cb -0.03 -1.04 0.17 0.00 0.00 0.00 0.00 23.12 22.22 1h5k s ALA 129 CO 0.02 0.42 0.43 -0.06 0.00 0.00 0.00 175.76 176.57 1h5k s PHE 130 N -1.89 2.66 0.09 0.00 0.40 -1.26 -4.80 117.98 113.18 1h5k s PHE 130 Ca 0.29 -2.97 -0.21 0.00 -0.60 0.00 0.00 56.93 53.45 1h5k s PHE 130 Cb -0.09 -2.06 -0.11 0.00 0.51 0.00 0.00 43.02 41.28 1h5k s PHE 130 CO 0.20 -0.65 1.66 1.25 0.70 0.00 0.00 175.22 178.38 1h5k h LEU 131 N 5.51 0.18 -0.83 -0.37 5.85 -1.84 -1.05 115.31 122.77 1h5k h LEU 131 Ca 0.19 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1h5k h LEU 131 Cb 0.81 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 1h5k h LEU 131 CO 0.59 0.25 0.46 0.44 -0.34 0.00 0.00 178.44 179.84 1h5k h ASP 132 N 0.11 1.04 -0.39 1.25 3.32 -1.93 -0.94 116.42 118.86 1h5k h ASP 132 Ca 0.05 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 56.93 1h5k h ASP 132 Cb 0.11 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 1h5k h ASP 132 CO -0.01 0.83 -0.00 0.25 -1.72 0.00 0.00 179.24 178.60 1h5k h LEU 133 N 1.16 0.74 -0.56 1.55 5.85 -1.95 -1.57 115.31 120.54 1h5k h LEU 133 Ca 0.29 -0.18 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 1h5k h LEU 133 Cb 0.03 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 1h5k h LEU 133 CO -0.05 0.81 0.05 0.00 -0.34 0.00 0.00 178.44 178.91 1h5k h ALA 134 N 1.27 0.74 -0.07 1.25 0.00 -0.50 0.43 119.26 122.38 1h5k h ALA 134 Ca 0.14 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1h5k h ALA 134 Cb 0.45 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1h5k h ALA 134 CO 0.02 0.53 -0.21 -0.91 0.00 0.00 0.00 179.25 178.68 1h5k h ASN 135 N 0.84 0.12 0.28 0.00 2.35 -0.81 -1.89 115.58 116.46 1h5k h ASN 135 Ca 0.16 -0.03 -0.34 0.00 -0.55 0.00 0.00 56.30 55.55 1h5k h ASN 135 Cb 0.48 -0.03 0.01 0.00 0.05 0.00 0.00 38.32 38.82 1h5k h ASN 135 CO 0.02 0.33 -1.66 0.00 -1.65 0.00 0.00 177.43 174.47 1h5k h ALA 136 N 1.68 0.17 0.00 -0.83 0.00 -0.89 -3.40 119.26 115.99 1h5k h ALA 136 Ca 0.02 -1.11 -0.24 0.00 0.00 0.00 0.00 54.91 53.58 1h5k h ALA 136 Cb 0.44 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1h5k h ALA 136 CO 0.03 1.04 -1.44 -0.91 0.00 0.00 0.00 179.25 177.96 1h5k h ASN 137 N 0.10 0.00 -3.24 0.00 4.21 -0.06 -3.46 115.58 113.12 1h5k h ASN 137 Ca -0.31 0.00 -0.53 0.00 1.21 0.00 0.00 56.30 56.67 1h5k h ASN 137 Cb 2.08 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.28 1h5k h ASN 137 CO 0.18 0.88 0.54 -0.76 -1.29 0.00 0.00 177.43 176.98 1h5k s LEU 138 N -6.16 4.38 0.75 1.61 1.43 -0.72 -4.94 118.68 115.04 1h5k s LEU 138 Ca -0.03 2.01 -0.11 0.00 -1.03 0.00 0.00 54.13 54.98 1h5k s LEU 138 Cb 0.08 -3.58 0.04 0.00 0.03 0.00 0.00 46.19 42.77 1h5k s LEU 138 CO 0.82 -0.44 1.08 -2.16 0.23 0.00 0.00 176.35 175.88 1h5k s PRO 139 N 0.91 2.43 0.16 1.29 0.04 -1.26 -4.97 135.00 133.60 1h5k s PRO 139 Ca 0.57 1.06 0.11 0.00 0.04 0.00 0.00 61.00 62.79 1h5k s PRO 139 Cb -0.29 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 1h5k s PRO 139 CO 0.30 -1.49 -0.24 0.00 0.04 0.00 0.00 177.00 175.61 1h5k s ALA 140 N -2.96 2.50 0.63 8.56 0.00 -1.26 -4.98 121.76 124.24 1h5k s ALA 140 Ca 0.60 -1.54 0.38 0.00 0.00 0.00 0.00 51.96 51.40 1h5k s ALA 140 Cb -0.16 -0.40 2.15 0.00 0.00 0.00 0.00 23.12 24.72 1h5k s ALA 140 CO 0.56 0.49 2.32 -1.00 0.00 0.00 0.00 175.76 178.13 1h5k h PRO 141 N 3.52 0.00 -0.23 0.00 0.13 -1.97 -1.70 132.00 131.75 1h5k h PRO 141 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1h5k h PRO 141 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1h5k h PRO 141 CO 0.44 0.00 0.00 1.97 -0.23 0.00 0.00 178.00 180.18 1h5k n PHE 142 N -3.43 0.30 -2.15 1.56 1.16 -1.26 -1.86 117.46 111.78 1h5k n PHE 142 Ca -0.03 -0.15 -0.38 0.00 -1.87 0.00 0.00 57.45 55.03 1h5k n PHE 142 Cb 0.08 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.95 1h5k n PHE 142 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 1h5k s PHE 143 N -1.70 2.76 0.78 2.97 0.40 -0.64 -4.97 117.98 117.58 1h5k s PHE 143 Ca 0.30 1.50 -0.10 0.00 -0.60 0.00 0.00 56.93 58.03 1h5k s PHE 143 Cb 0.16 -3.48 0.08 0.00 0.51 0.00 0.00 43.02 40.29 1h5k s PHE 143 CO 0.24 -1.81 1.12 0.95 0.70 0.00 0.00 175.22 176.42 1h5k s THR 144 N -1.47 2.10 0.19 0.64 -4.23 -1.26 -4.40 115.64 107.21 1h5k s THR 144 Ca 0.64 -0.11 -0.12 0.00 -1.18 0.00 0.00 61.69 60.93 1h5k s THR 144 Cb -0.32 -2.99 0.11 0.00 1.34 0.00 0.00 72.50 70.63 1h5k s THR 144 CO 0.38 0.00 1.84 0.25 -0.54 0.00 0.00 174.62 176.55 1h5k h LEU 145 N -0.91 0.76 -1.23 4.79 5.85 -1.96 -0.37 115.31 122.25 1h5k h LEU 145 Ca -0.45 -0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.27 1h5k h LEU 145 Cb 1.32 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 42.11 1h5k h LEU 145 CO 0.62 0.58 0.54 -0.65 -0.34 0.00 0.00 178.44 179.20 1h5k h PRO 146 N 0.87 0.93 -0.23 5.25 0.11 -1.94 -0.51 132.00 136.48 1h5k h PRO 146 Ca 0.23 -0.06 -0.15 0.00 0.11 0.00 0.00 66.00 66.14 1h5k h PRO 146 Cb -0.05 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 30.85 1h5k h PRO 146 CO -0.05 0.61 -0.47 1.96 -0.21 0.00 0.00 178.00 179.85 1h5k h GLN 147 N 0.96 0.59 -0.33 1.05 4.20 -1.71 -0.76 115.11 119.10 1h5k h GLN 147 Ca 0.35 -0.33 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 1h5k h GLN 147 Cb 0.16 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 1h5k h GLN 147 CO -0.12 0.93 0.08 -0.07 -0.67 0.00 0.00 178.83 178.98 1h5k h LEU 148 N 0.47 0.49 -0.62 1.46 3.38 -0.30 -0.65 115.31 119.54 1h5k h LEU 148 Ca 0.03 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1h5k h LEU 148 Cb 0.99 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 1h5k h LEU 148 CO 0.09 0.59 0.36 0.11 0.09 0.00 0.00 178.44 179.69 1h5k h LYS 149 N 0.37 0.85 -0.55 1.13 1.57 -1.02 -1.91 116.57 117.01 1h5k h LYS 149 Ca 0.10 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1h5k h LYS 149 Cb 0.29 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 1h5k h LYS 149 CO 0.00 0.62 0.33 -0.44 -0.57 0.00 0.00 179.45 179.38 1h5k h ASP 150 N 0.84 0.52 -0.73 0.86 3.32 -0.87 -0.65 116.42 119.71 1h5k h ASP 150 Ca 0.22 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 1h5k h ASP 150 Cb -0.00 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 1h5k h ASP 150 CO -0.04 0.37 0.40 0.77 -1.72 0.00 0.00 179.24 179.02 1h5k h SER 151 N 0.64 0.91 -0.19 6.45 4.64 -0.63 0.58 113.55 125.96 1h5k h SER 151 Ca 0.22 -0.10 -0.06 0.00 -0.47 0.00 0.00 61.79 61.38 1h5k h SER 151 Cb 0.03 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 61.88 1h5k h SER 151 CO -0.10 0.75 -0.13 -0.26 -0.87 0.00 0.00 176.83 176.21 1h5k h PHE 152 N 1.01 0.50 -0.50 4.77 -1.00 -1.07 -3.07 116.94 117.58 1h5k h PHE 152 Ca 0.26 -0.14 -0.01 0.00 2.81 0.00 0.00 57.97 60.89 1h5k h PHE 152 Cb 0.04 -0.11 -0.02 0.00 3.61 0.00 0.00 35.95 39.46 1h5k h PHE 152 CO -0.00 0.76 0.26 0.00 -1.61 0.00 0.00 178.31 177.71 1h5k h ARG 153 N 0.10 0.69 -0.35 1.51 3.08 -0.91 -0.84 114.38 117.67 1h5k h ARG 153 Ca 0.04 -0.07 0.04 0.00 0.07 0.00 0.00 59.98 60.06 1h5k h ARG 153 Cb 0.65 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 1h5k h ARG 153 CO 0.04 0.52 0.23 -0.97 -1.07 0.00 0.00 179.97 178.72 1h5k h ASN 154 N 0.70 0.26 -0.00 7.04 -1.24 -0.78 -1.83 115.58 119.72 1h5k h ASN 154 Ca 0.18 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.19 1h5k h ASN 154 Cb 0.04 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.03 1h5k h ASN 154 CO -0.03 0.18 -0.15 1.33 -1.29 0.00 0.00 177.43 177.47 1h5k n VAL 155 N -4.48 0.00 0.00 2.57 0.24 -0.89 -4.96 118.33 110.80 1h5k n VAL 155 Ca 0.04 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 1h5k n VAL 155 Cb 0.20 1.18 0.00 0.00 -1.47 0.00 0.00 33.84 33.75 1h5k n VAL 155 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1h5k n GLY 156 N 1.34 0.93 3.30 7.63 0.00 -0.69 -4.85 105.19 112.84 1h5k n GLY 156 Ca 0.13 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.70 1h5k n GLY 156 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h5k s LEU 157 N 0.00 6.40 0.31 0.99 1.43 -0.37 -4.91 118.68 122.53 1h5k s LEU 157 Ca 0.00 -2.37 0.17 0.00 -1.03 0.00 0.00 54.13 50.90 1h5k s LEU 157 Cb 0.00 -2.17 0.25 0.00 0.03 0.00 0.00 46.19 44.30 1h5k s LEU 157 CO 0.00 -0.65 1.53 0.78 0.23 0.00 0.00 176.35 178.23 1h5k h ASN 158 N 8.11 0.00 -3.59 2.29 2.35 -1.87 -2.91 115.58 119.97 1h5k h ASN 158 Ca -0.05 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.19 1h5k h ASN 158 Cb 1.05 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.41 1h5k h ASN 158 CO 0.85 0.45 0.36 -0.13 -1.65 0.00 0.00 177.43 177.31 1h5k s ARG 159 N -3.13 4.72 0.53 0.81 0.52 -1.26 -4.93 118.95 116.20 1h5k s ARG 159 Ca 0.03 1.46 0.23 0.00 -0.52 0.00 0.00 55.73 56.94 1h5k s ARG 159 Cb 0.08 -3.36 1.44 0.00 0.52 0.00 0.00 34.95 33.63 1h5k s ARG 159 CO 0.72 0.25 2.12 0.77 0.02 0.00 0.00 175.30 179.19 1h5k h SER 160 N 5.38 0.00 -0.06 0.23 0.02 -1.96 0.26 113.55 117.43 1h5k h SER 160 Ca -0.43 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.45 1h5k h SER 160 Cb 1.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 1h5k h SER 160 CO 0.71 0.08 -0.15 -1.28 -1.14 0.00 0.00 176.83 175.06 1h5k h SER 161 N 0.00 0.38 0.27 3.07 0.87 -1.93 0.11 113.55 116.32 1h5k h SER 161 Ca -0.00 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.45 1h5k h SER 161 Cb 0.18 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1h5k h SER 161 CO 0.01 0.56 -0.13 0.44 -0.53 0.00 0.00 176.83 177.18 1h5k h ASP 162 N 0.37 -0.31 0.03 6.23 3.32 -1.32 0.22 116.42 124.96 1h5k h ASP 162 Ca 0.07 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 1h5k h ASP 162 Cb 0.48 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1h5k h ASP 162 CO 0.03 -0.16 -0.02 0.25 -1.72 0.00 0.00 179.24 177.62 1h5k h LEU 163 N -0.43 -0.04 -0.39 1.55 5.85 -1.31 -0.74 115.31 119.81 1h5k h LEU 163 Ca -0.04 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.60 1h5k h LEU 163 Cb 0.33 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1h5k h LEU 163 CO 0.06 -0.02 -0.07 0.58 -0.34 0.00 0.00 178.44 178.65 1h5k h VAL 164 N -0.05 1.27 -0.20 1.05 2.07 -0.96 -1.94 116.25 117.49 1h5k h VAL 164 Ca -0.00 -1.14 -0.05 0.00 0.82 0.00 0.00 66.70 66.32 1h5k h VAL 164 Cb 0.04 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1h5k h VAL 164 CO 0.01 0.38 -0.08 0.00 0.02 0.00 0.00 177.57 177.90 1h5k h ALA 165 N 0.84 0.28 0.00 1.67 0.00 -0.94 -3.13 119.26 117.98 1h5k h ALA 165 Ca 0.10 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1h5k h ALA 165 Cb 0.58 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1h5k h ALA 165 CO 0.03 0.09 -0.35 -0.07 0.00 0.00 0.00 179.25 178.95 1h5k h LEU 166 N 0.11 0.00 -1.21 0.00 3.38 -1.17 -1.09 115.31 115.34 1h5k h LEU 166 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1h5k h LEU 166 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1h5k h LEU 166 CO 0.03 0.35 0.00 0.28 0.09 0.00 0.00 178.44 179.19 1h5k h SER 167 N 0.00 0.00 0.21 -0.43 0.02 -1.29 -0.73 113.55 111.33 1h5k h SER 167 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1h5k h SER 167 Cb 0.65 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.19 1h5k h SER 167 CO 0.05 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.35 1h5k n GLY 168 N -0.72 -0.65 0.21 -3.77 0.00 -0.41 -1.70 105.19 98.14 1h5k n GLY 168 Ca -0.00 -0.04 0.15 0.00 0.00 0.00 0.00 46.02 46.12 1h5k n GLY 168 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1h5k h GLY 169 N 1.63 0.00 -1.75 -0.02 0.00 -1.31 -1.29 103.07 100.33 1h5k h GLY 169 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1h5k h GLY 169 CO 0.00 0.00 0.01 1.42 0.00 0.00 0.00 176.54 177.97 1h5k n HIS 170 N -2.55 0.59 1.29 5.60 8.25 -0.69 -3.58 115.22 124.14 1h5k n HIS 170 Ca -0.00 -0.23 0.15 0.00 -0.26 0.00 0.00 57.72 57.37 1h5k n HIS 170 Cb 0.14 -0.23 0.71 0.00 1.12 0.00 0.00 29.99 31.73 1h5k n HIS 170 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 1h5k n THR 171 N 0.17 0.00 -3.98 1.59 5.66 -0.49 -3.82 114.28 113.41 1h5k n THR 171 Ca 0.08 -0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.95 1h5k n THR 171 Cb 0.53 -0.47 -0.02 0.00 -1.55 0.00 0.00 70.33 68.82 1h5k n THR 171 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1h5k s PHE 172 N -2.70 0.73 0.00 1.09 -0.71 -1.24 -4.46 117.98 110.70 1h5k s PHE 172 Ca 0.24 -1.13 0.00 0.00 -1.04 0.00 0.00 56.93 55.00 1h5k s PHE 172 Cb 0.20 0.26 0.00 0.00 -1.21 0.00 0.00 43.02 42.27 1h5k s PHE 172 CO 0.49 -1.31 0.00 0.41 -1.34 0.00 0.00 175.22 173.47 1h5k n GLY 173 N -0.56 -0.01 3.52 1.99 0.00 -1.12 -4.67 105.19 104.33 1h5k n GLY 173 Ca -0.03 -1.88 -0.25 0.00 0.00 0.00 0.00 46.02 43.86 1h5k n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h5k s LYS 174 N -1.43 1.87 -0.01 1.61 -0.14 -1.26 -2.40 119.74 117.98 1h5k s LYS 174 Ca 0.00 -1.49 0.01 0.00 -1.36 0.00 0.00 55.97 53.13 1h5k s LYS 174 Cb 0.00 -1.98 0.01 0.00 -1.68 0.00 0.00 37.83 34.18 1h5k s LYS 174 CO 0.00 0.39 -0.01 1.21 -0.76 0.00 0.00 175.35 176.17 1h5k s ASN 175 N -3.11 0.33 0.36 2.83 2.47 0.22 -4.88 114.94 113.16 1h5k s ASN 175 Ca 0.26 -0.04 -0.25 0.00 0.42 0.00 0.00 52.86 53.26 1h5k s ASN 175 Cb -0.07 -0.10 -0.09 0.00 -1.45 0.00 0.00 41.25 39.53 1h5k s ASN 175 CO 0.15 -0.02 1.00 -1.10 -3.72 0.00 0.00 177.10 173.41 1h5k s GLN 176 N 0.37 4.37 0.38 0.43 -0.21 -1.26 -0.14 119.66 123.61 1h5k s GLN 176 Ca -0.03 1.43 0.14 0.00 0.02 0.00 0.00 55.36 56.92 1h5k s GLN 176 Cb -0.06 -2.67 0.97 0.00 1.00 0.00 0.00 33.01 32.26 1h5k s GLN 176 CO -0.01 0.06 1.83 0.00 -2.12 0.00 0.00 175.29 175.06 1h5k h ARG 178 N 0.52 0.44 0.00 0.00 0.11 -1.34 -0.97 114.38 113.14 1h5k h ARG 178 Ca 0.50 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.55 1h5k h ARG 178 Cb 1.08 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 32.06 1h5k h ARG 178 CO -0.23 0.29 0.00 1.19 0.10 0.00 0.00 179.97 181.32 1h5k n PHE 179 N -4.70 0.00 -0.30 4.08 3.72 -0.74 -3.58 117.46 115.94 1h5k n PHE 179 Ca 0.26 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.66 1h5k n PHE 179 Cb 0.84 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 39.12 1h5k n PHE 179 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 1h5k n ILE 180 N -1.26 0.09 -0.31 4.37 -5.35 -0.41 -4.79 119.36 111.70 1h5k n ILE 180 Ca 0.13 -0.40 0.10 0.00 -0.27 0.00 0.00 62.75 62.32 1h5k n ILE 180 Cb 0.20 1.22 0.32 0.00 -1.74 0.00 0.00 39.64 39.64 1h5k n ILE 180 CO 0.00 0.00 0.00 0.24 -1.76 0.00 0.00 176.55 175.03 1h5k h MET 181 N 0.00 0.78 -0.38 6.28 2.86 -1.52 -1.24 114.93 121.72 1h5k h MET 181 Ca 0.00 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 1h5k h MET 181 Cb 0.21 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1h5k h MET 181 CO 0.00 0.52 0.00 0.38 1.06 0.00 0.00 176.91 178.87 1h5k h ASP 182 N 0.81 0.66 -0.18 1.22 2.03 -1.84 -1.44 116.42 117.68 1h5k h ASP 182 Ca 0.48 -0.31 -0.02 0.00 -0.73 0.00 0.00 57.03 56.45 1h5k h ASP 182 Cb 0.65 -0.18 -0.01 0.00 -0.83 0.00 0.00 39.33 38.96 1h5k h ASP 182 CO -0.24 0.80 0.07 0.03 -1.03 0.00 0.00 179.24 178.88 1h5k h ARG 183 N 0.49 0.32 0.08 4.15 3.08 -1.53 -0.81 114.38 120.17 1h5k h ARG 183 Ca 0.11 -0.04 -0.27 0.00 0.07 0.00 0.00 59.98 59.85 1h5k h ARG 183 Cb 0.47 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1h5k h ARG 183 CO 0.02 0.29 -1.32 -0.07 -1.07 0.00 0.00 179.97 177.81 1h5k h LEU 184 N 0.32 0.27 0.00 3.04 3.38 -0.96 0.15 115.31 121.52 1h5k h LEU 184 Ca 0.08 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1h5k h LEU 184 Cb 0.10 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1h5k h LEU 184 CO -0.01 1.27 -0.67 -1.22 0.09 0.00 0.00 178.44 177.90 1h5k n TYR 185 N -3.42 0.00 -3.09 1.13 4.01 -0.57 -4.42 117.16 110.81 1h5k n TYR 185 Ca -0.10 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.59 1h5k n TYR 185 Cb 1.01 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 40.02 1h5k n TYR 185 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1h5k s ASN 186 N -2.20 -0.90 -0.13 7.72 2.47 -0.48 -3.70 114.94 117.73 1h5k s ASN 186 Ca 0.00 -1.40 -0.23 0.00 0.42 0.00 0.00 52.86 51.65 1h5k s ASN 186 Cb 0.00 1.57 -0.03 0.00 -1.45 0.00 0.00 41.25 41.34 1h5k s ASN 186 CO 0.00 -0.14 0.70 0.12 -3.72 0.00 0.00 177.10 174.06 1h5k s PHE 187 N 1.32 3.48 -1.54 0.43 5.36 0.49 -4.15 117.98 123.35 1h5k s PHE 187 Ca 0.22 1.14 -0.09 0.00 -0.96 0.00 0.00 56.93 57.25 1h5k s PHE 187 Cb -0.04 -2.84 0.07 0.00 -0.34 0.00 0.00 43.02 39.87 1h5k s PHE 187 CO -0.06 -0.06 0.59 0.45 -1.46 0.00 0.00 175.22 174.67 1h5k n SER 188 N 4.48 -1.75 -2.29 6.13 2.88 -1.26 -1.18 113.62 120.61 1h5k n SER 188 Ca -0.00 -1.01 -0.16 0.00 -1.33 0.00 0.00 58.87 56.37 1h5k n SER 188 Cb 0.50 -2.92 -0.02 0.00 -0.75 0.00 0.00 64.21 61.03 1h5k n SER 188 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1h5k n ASN 189 N -2.84 -4.67 0.02 -3.46 3.02 -1.26 -4.84 115.26 101.23 1h5k n ASN 189 Ca -0.13 0.15 0.11 0.00 -0.03 0.00 0.00 54.58 54.68 1h5k n ASN 189 Cb 0.60 -3.97 0.12 0.00 -0.61 0.00 0.00 39.78 35.92 1h5k n ASN 189 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1h5k n THR 190 N -3.43 0.09 -1.02 3.41 -2.24 -0.33 -4.93 114.28 105.84 1h5k n THR 190 Ca -0.18 -0.11 -0.01 0.00 -2.27 0.00 0.00 64.05 61.48 1h5k n THR 190 Cb 0.63 0.30 -0.00 0.00 -2.10 0.00 0.00 70.33 69.15 1h5k n THR 190 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h5k n GLY 191 N 1.44 0.38 3.26 3.38 0.00 -1.26 -4.95 105.19 107.44 1h5k n GLY 191 Ca 0.04 -0.07 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 1h5k n GLY 191 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h5k s LEU 192 N -0.16 2.48 0.85 0.99 1.43 -1.24 -4.72 118.68 118.31 1h5k s LEU 192 Ca 0.00 -1.04 -0.11 0.00 -1.03 0.00 0.00 54.13 51.95 1h5k s LEU 192 Cb 0.00 -0.33 0.10 0.00 0.03 0.00 0.00 46.19 45.99 1h5k s LEU 192 CO 0.00 -0.36 1.09 -2.16 0.23 0.00 0.00 176.35 175.15 1h5k s PRO 193 N -3.77 1.64 -0.03 1.29 0.04 -1.26 -0.38 135.00 132.53 1h5k s PRO 193 Ca 0.18 0.90 -0.30 0.00 0.04 0.00 0.00 61.00 61.82 1h5k s PRO 193 Cb 0.03 -1.85 -0.07 0.00 0.04 0.00 0.00 34.50 32.65 1h5k s PRO 193 CO 0.02 -2.00 1.86 0.34 0.04 0.00 0.00 177.00 177.26 1h5k s ASP 194 N -3.47 6.45 0.41 6.66 -1.08 0.54 -4.75 116.67 121.43 1h5k s ASP 194 Ca 0.62 2.42 0.28 0.00 -0.52 0.00 0.00 52.55 55.35 1h5k s ASP 194 Cb -0.17 -2.53 1.44 0.00 -1.46 0.00 0.00 42.92 40.19 1h5k s ASP 194 CO 0.56 -1.09 1.86 1.55 0.52 0.00 0.00 175.17 178.58 1h5k h PRO 195 N 10.57 0.00 -0.15 4.34 0.13 -1.91 -2.01 132.00 142.97 1h5k h PRO 195 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1h5k h PRO 195 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1h5k h PRO 195 CO 0.95 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.97 1h5k n THR 196 N -2.51 0.20 -3.68 1.56 -2.24 -1.26 -4.77 114.28 101.58 1h5k n THR 196 Ca -0.01 -0.28 -0.37 0.00 -2.27 0.00 0.00 64.05 61.12 1h5k n THR 196 Cb 0.11 0.19 -0.11 0.00 -2.10 0.00 0.00 70.33 68.42 1h5k n THR 196 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1h5k s LEU 197 N -1.44 3.94 0.02 3.22 2.96 -0.76 -4.71 118.68 121.91 1h5k s LEU 197 Ca 0.28 0.01 -0.37 0.00 -0.22 0.00 0.00 54.13 53.83 1h5k s LEU 197 Cb 0.15 -2.07 -0.17 0.00 0.50 0.00 0.00 46.19 44.60 1h5k s LEU 197 CO 0.22 0.01 1.40 -3.20 -1.32 0.00 0.00 176.35 173.46 1h5k n ASN 198 N 4.62 1.69 0.24 3.68 2.85 0.19 -4.76 115.26 123.76 1h5k n ASN 198 Ca -0.15 1.11 0.07 0.00 -0.11 0.00 0.00 54.58 55.51 1h5k n ASN 198 Cb 0.52 -1.17 0.57 0.00 1.24 0.00 0.00 39.78 40.95 1h5k n ASN 198 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1h5k h THR 199 N 3.63 0.99 -0.11 -0.44 1.35 -1.93 0.24 112.91 116.64 1h5k h THR 199 Ca -0.48 -0.52 -0.16 0.00 -0.55 0.00 0.00 66.41 64.70 1h5k h THR 199 Cb 1.34 1.29 0.01 0.00 -1.73 0.00 0.00 68.15 69.06 1h5k h THR 199 CO 0.80 0.14 -0.54 0.74 -0.25 0.00 0.00 175.52 176.41 1h5k h THR 200 N 0.00 1.35 -0.12 6.82 2.02 -1.99 -2.90 112.91 118.09 1h5k h THR 200 Ca -0.00 -1.84 -0.09 0.00 0.77 0.00 0.00 66.41 65.25 1h5k h THR 200 Cb 0.28 2.15 -0.01 0.00 -1.74 0.00 0.00 68.15 68.82 1h5k h THR 200 CO 0.02 0.56 -0.33 0.22 0.37 0.00 0.00 175.52 176.36 1h5k h TYR 201 N 0.20 0.26 -0.55 3.16 3.20 -1.82 -2.63 116.97 118.78 1h5k h TYR 201 Ca -0.04 -0.06 0.06 0.00 3.14 0.00 0.00 58.73 61.84 1h5k h TYR 201 Cb 1.18 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 39.34 1h5k h TYR 201 CO 0.11 0.54 0.25 1.25 -1.64 0.00 0.00 178.16 178.67 1h5k h LEU 202 N 0.20 0.32 -0.27 2.82 5.85 -0.42 -0.31 115.31 123.51 1h5k h LEU 202 Ca 0.03 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1h5k h LEU 202 Cb 0.69 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1h5k h LEU 202 CO 0.05 0.21 0.17 1.56 -0.34 0.00 0.00 178.44 180.10 1h5k h GLN 203 N 0.47 0.35 -0.21 1.25 7.50 -1.27 -0.52 115.11 122.70 1h5k h GLN 203 Ca 0.26 -0.02 0.02 0.00 0.50 0.00 0.00 58.65 59.40 1h5k h GLN 203 Cb 0.22 -0.08 -0.02 0.00 0.05 0.00 0.00 27.48 27.66 1h5k h GLN 203 CO -0.21 0.24 0.08 1.15 -1.50 0.00 0.00 178.83 178.59 1h5k h THR 204 N 0.36 0.97 -0.45 -0.54 2.02 -1.23 -1.80 112.91 112.23 1h5k h THR 204 Ca 0.10 -0.06 -0.06 0.00 0.77 0.00 0.00 66.41 67.15 1h5k h THR 204 Cb -0.03 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 1h5k h THR 204 CO -0.02 0.03 0.04 -0.07 0.37 0.00 0.00 175.52 175.87 1h5k h LEU 205 N 0.19 0.67 -1.37 2.58 3.38 -0.89 -1.89 115.31 117.98 1h5k h LEU 205 Ca 0.09 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1h5k h LEU 205 Cb 0.04 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1h5k h LEU 205 CO -0.08 0.72 -0.26 0.03 0.09 0.00 0.00 178.44 178.94 1h5k h ARG 206 N 0.68 0.08 -0.04 1.13 3.08 -0.73 0.26 114.38 118.83 1h5k h ARG 206 Ca 0.14 -0.02 -0.14 0.00 0.07 0.00 0.00 59.98 60.02 1h5k h ARG 206 Cb 0.37 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1h5k h ARG 206 CO 0.01 0.34 -0.62 0.78 -1.07 0.00 0.00 179.97 179.41 1h5k h GLY 207 N 0.88 0.18 1.69 0.04 0.00 -0.56 -2.27 103.07 103.03 1h5k h GLY 207 Ca 0.01 -0.23 -0.20 0.00 0.00 0.00 0.00 47.33 46.91 1h5k h GLY 207 CO 0.04 0.21 -1.09 1.41 0.00 0.00 0.00 176.54 177.10 1h5k h LEU 208 N 0.12 0.00 -6.16 3.11 3.38 -0.87 -3.39 115.31 111.50 1h5k h LEU 208 Ca -0.01 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.38 1h5k h LEU 208 Cb 1.13 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.47 1h5k h LEU 208 CO 0.09 0.86 -0.85 0.00 0.09 0.00 0.00 178.44 178.64 1h5k s PRO 210 N -1.69 2.45 0.34 0.00 0.04 -0.86 -4.63 135.00 130.65 1h5k s PRO 210 Ca 0.36 1.63 -0.29 0.00 0.04 0.00 0.00 61.00 62.75 1h5k s PRO 210 Cb 0.14 -1.88 -0.11 0.00 0.04 0.00 0.00 34.50 32.69 1h5k s PRO 210 CO -0.08 -1.57 1.48 -1.17 0.04 0.00 0.00 177.00 175.71 1h5k s LEU 211 N -4.95 4.35 -1.04 -3.56 0.20 -1.26 -1.43 118.68 110.99 1h5k s LEU 211 Ca 0.72 2.94 0.00 0.00 0.69 0.00 0.00 54.13 58.48 1h5k s LEU 211 Cb -0.26 -3.65 0.00 0.00 -0.43 0.00 0.00 46.19 41.85 1h5k s LEU 211 CO 0.43 -0.82 0.00 0.59 -0.29 0.00 0.00 176.35 176.26 1h5k n ASN 212 N 1.10 -4.69 -1.69 3.68 5.03 -1.26 -4.99 115.26 112.44 1h5k n ASN 212 Ca 0.03 0.24 0.00 0.00 0.87 0.00 0.00 54.58 55.72 1h5k n ASN 212 Cb 0.39 -3.05 0.00 0.00 -1.02 0.00 0.00 39.78 36.10 1h5k n ASN 212 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1h5k n GLY 213 N -1.10 0.75 3.58 7.41 0.00 -0.52 -4.98 105.19 110.33 1h5k n GLY 213 Ca -0.10 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.59 1h5k n GLY 213 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1h5k s ASN 214 N -1.00 5.79 0.51 1.61 3.04 -1.26 -4.86 114.94 118.77 1h5k s ASN 214 Ca 0.00 0.71 0.33 0.00 0.04 0.00 0.00 52.86 53.95 1h5k s ASN 214 Cb 0.00 -2.53 1.47 0.00 -1.54 0.00 0.00 41.25 38.64 1h5k s ASN 214 CO 0.00 -1.90 1.99 -0.07 -3.04 0.00 0.00 177.10 174.08 1h5k h LEU 215 N 14.29 0.00 -0.41 3.21 3.38 -1.94 -2.63 115.31 131.20 1h5k h LEU 215 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1h5k h LEU 215 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1h5k h LEU 215 CO 1.13 0.00 -0.18 -1.20 0.09 0.00 0.00 178.44 178.28 1h5k n SER 216 N -2.92 0.82 -4.74 -0.43 7.64 -1.26 -0.97 113.62 111.76 1h5k n SER 216 Ca 0.00 -0.80 -0.41 0.00 1.01 0.00 0.00 58.87 58.68 1h5k n SER 216 Cb 0.25 0.04 0.01 0.00 -1.01 0.00 0.00 64.21 63.50 1h5k n SER 216 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h5k n ALA 217 N -0.73 1.85 -2.87 -0.43 0.00 -0.99 -4.70 120.51 112.63 1h5k n ALA 217 Ca 0.14 0.29 -0.36 0.00 0.00 0.00 0.00 53.44 53.51 1h5k n ALA 217 Cb 0.32 -2.35 -0.06 0.00 0.00 0.00 0.00 19.45 17.36 1h5k n ALA 217 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1h5k s LEU 218 N -2.04 4.34 0.06 0.00 1.43 -1.26 -0.73 118.68 120.48 1h5k s LEU 218 Ca 0.58 0.43 0.05 0.00 -1.03 0.00 0.00 54.13 54.16 1h5k s LEU 218 Cb -0.49 -2.16 -0.03 0.00 0.03 0.00 0.00 46.19 43.54 1h5k s LEU 218 CO 0.60 0.38 -0.15 -0.69 0.23 0.00 0.00 176.35 176.72 1h5k s VAL 219 N -1.08 1.19 0.18 -1.59 1.01 0.80 -4.92 120.40 116.00 1h5k s VAL 219 Ca 0.17 -1.21 -0.30 0.00 0.00 0.00 0.00 61.98 60.64 1h5k s VAL 219 Cb -0.12 -1.11 -0.08 0.00 0.00 0.00 0.00 36.38 35.07 1h5k s VAL 219 CO 0.07 -0.11 1.19 -1.81 0.00 0.00 0.00 175.10 174.44 1h5k s ASP 220 N -1.52 7.09 0.25 3.32 1.01 -1.26 -0.61 116.67 124.95 1h5k s ASP 220 Ca 0.00 2.22 -0.02 0.00 0.71 0.00 0.00 52.55 55.46 1h5k s ASP 220 Cb -0.09 -2.61 0.30 0.00 1.01 0.00 0.00 42.92 41.53 1h5k s ASP 220 CO 0.02 -0.37 1.72 -0.26 0.21 0.00 0.00 175.17 176.49 1h5k h PHE 221 N 5.27 0.82 -3.70 4.23 0.04 -1.75 -3.40 116.94 118.47 1h5k h PHE 221 Ca -0.44 -0.14 -0.68 0.00 2.80 0.00 0.00 57.97 59.51 1h5k h PHE 221 Cb 1.21 -0.22 -0.35 0.00 2.20 0.00 0.00 35.95 38.80 1h5k h PHE 221 CO 0.62 0.81 -0.68 0.34 -0.60 0.00 0.00 178.31 178.81 1h5k s ASP 222 N -6.69 4.92 0.36 2.17 2.15 -1.25 -4.36 116.67 113.97 1h5k s ASP 222 Ca -0.09 -1.61 0.27 0.00 0.43 0.00 0.00 52.55 51.55 1h5k s ASP 222 Cb 0.14 -1.71 1.17 0.00 -0.30 0.00 0.00 42.92 42.22 1h5k s ASP 222 CO 0.82 -0.34 1.81 0.17 -0.17 0.00 0.00 175.17 177.46 1h5k h LEU 223 N 7.93 0.00 0.00 -1.34 -0.00 -1.90 -2.55 115.31 117.45 1h5k h LEU 223 Ca -0.16 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.71 1h5k h LEU 223 Cb 1.05 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.71 1h5k h LEU 223 CO 0.56 0.00 -0.10 0.03 -0.00 0.00 0.00 178.44 178.94 1h5k h ARG 224 N 0.00 0.00 -2.62 0.17 3.08 -1.93 -3.43 114.38 109.65 1h5k h ARG 224 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 1h5k h ARG 224 Cb 0.36 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 30.02 1h5k h ARG 224 CO 0.00 0.17 -0.84 0.95 -1.07 0.00 0.00 179.97 179.17 1h5k s THR 225 N -1.75 1.09 0.47 2.04 -4.23 -1.23 -5.02 115.64 107.01 1h5k s THR 225 Ca -0.05 -3.02 0.30 0.00 -1.18 0.00 0.00 61.69 57.74 1h5k s THR 225 Cb -0.00 -1.74 0.50 0.00 1.34 0.00 0.00 72.50 72.60 1h5k s THR 225 CO 0.14 -1.13 1.71 -0.65 -0.54 0.00 0.00 174.62 174.15 1h5k h PRO 226 N 5.74 0.15 0.00 3.99 0.11 -1.69 -2.86 132.00 137.43 1h5k h PRO 226 Ca 0.20 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1h5k h PRO 226 Cb 0.87 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1h5k h PRO 226 CO 0.47 0.10 0.00 0.25 -0.21 0.00 0.00 178.00 178.60 1h5k n THR 227 N -4.45 0.37 -3.96 -1.15 -2.24 -1.26 -2.80 114.28 98.78 1h5k n THR 227 Ca 0.31 -0.68 -0.35 0.00 -2.27 0.00 0.00 64.05 61.06 1h5k n THR 227 Cb 1.27 0.83 -0.09 0.00 -2.10 0.00 0.00 70.33 70.23 1h5k n THR 227 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1h5k s ILE 228 N -0.37 5.00 -0.65 2.28 1.01 -1.08 -4.87 121.20 122.52 1h5k s ILE 228 Ca 0.00 0.03 -0.25 0.00 0.00 0.00 0.00 60.65 60.43 1h5k s ILE 228 Cb 0.00 -3.23 0.04 0.00 0.01 0.00 0.00 42.46 39.28 1h5k s ILE 228 CO 0.00 0.50 1.10 0.12 0.00 0.00 0.00 174.94 176.66 1h5k s PHE 229 N 0.02 2.56 0.17 3.97 2.19 0.30 -4.53 117.98 122.66 1h5k s PHE 229 Ca 0.07 -0.11 -0.01 0.00 0.33 0.00 0.00 56.93 57.21 1h5k s PHE 229 Cb -0.12 -4.39 0.00 0.00 -1.31 0.00 0.00 43.02 37.21 1h5k s PHE 229 CO 0.00 -1.71 0.24 -0.40 1.83 0.00 0.00 175.22 175.18 1h5k n ASP 230 N 8.32 -0.68 -0.54 6.13 5.68 -1.26 -3.57 116.55 130.63 1h5k n ASP 230 Ca 0.02 -1.92 0.05 0.00 -0.50 0.00 0.00 54.79 52.44 1h5k n ASP 230 Cb 0.48 1.26 0.16 0.00 -1.14 0.00 0.00 41.12 41.87 1h5k n ASP 230 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1h5k n ASN 231 N -1.87 1.56 0.21 -1.12 6.94 -1.26 -4.25 115.26 115.47 1h5k n ASN 231 Ca 0.00 -1.97 0.13 0.00 -0.02 0.00 0.00 54.58 52.73 1h5k n ASN 231 Cb 0.29 -0.19 0.73 0.00 -2.36 0.00 0.00 39.78 38.25 1h5k n ASN 231 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 1h5k h LYS 232 N 1.74 0.00 -0.89 -3.83 1.79 -1.93 -2.06 116.57 111.39 1h5k h LYS 232 Ca 0.00 0.00 0.15 0.00 -2.18 0.00 0.00 60.65 58.62 1h5k h LYS 232 Cb 0.40 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 30.95 1h5k h LYS 232 CO 0.00 0.00 0.49 -0.92 -1.08 0.00 0.00 179.45 177.94 1h5k h TYR 233 N 0.00 0.85 0.00 -1.35 3.20 -1.90 -1.22 116.97 116.56 1h5k h TYR 233 Ca 0.06 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.82 1h5k h TYR 233 Cb 0.28 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 1h5k h TYR 233 CO 0.00 0.21 -0.71 1.88 -1.64 0.00 0.00 178.16 177.90 1h5k h TYR 234 N 0.68 0.00 -0.48 -3.82 0.05 -1.71 -2.75 116.97 108.93 1h5k h TYR 234 Ca 0.49 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 59.18 1h5k h TYR 234 Cb 0.69 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.42 1h5k h TYR 234 CO -0.07 0.71 -0.08 0.28 -1.05 0.00 0.00 178.16 177.95 1h5k h VAL 235 N 0.00 1.26 -0.41 -2.88 2.07 -1.29 -2.49 116.25 112.51 1h5k h VAL 235 Ca -0.01 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.36 1h5k h VAL 235 Cb 1.28 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 1h5k h VAL 235 CO 0.09 0.40 0.22 0.78 0.02 0.00 0.00 177.57 179.08 1h5k h ASN 236 N 0.77 0.52 -0.87 0.57 2.35 -1.11 -2.77 115.58 115.03 1h5k h ASN 236 Ca 0.13 -0.10 0.06 0.00 -0.55 0.00 0.00 56.30 55.85 1h5k h ASN 236 Cb 0.57 -0.13 -0.06 0.00 0.05 0.00 0.00 38.32 38.75 1h5k h ASN 236 CO 0.03 0.47 0.54 -0.07 -1.65 0.00 0.00 177.43 176.75 1h5k h LEU 237 N 0.53 0.85 -2.48 1.61 3.38 -1.20 0.23 115.31 118.23 1h5k h LEU 237 Ca 0.14 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1h5k h LEU 237 Cb 0.07 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1h5k h LEU 237 CO -0.02 0.54 -0.02 -0.33 0.09 0.00 0.00 178.44 178.69 1h5k h GLU 238 N 0.98 0.00 -0.55 1.13 5.08 -1.17 -0.78 114.58 119.27 1h5k h GLU 238 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 1h5k h GLU 238 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1h5k h GLU 238 CO -0.18 0.02 0.00 0.39 -1.00 0.00 0.00 179.01 178.25 1h5k n GLU 239 N -3.42 3.11 -2.61 2.33 1.02 -0.34 -4.95 120.64 115.79 1h5k n GLU 239 Ca -0.02 -2.58 -0.16 0.00 -0.02 0.00 0.00 57.16 54.38 1h5k n GLU 239 Cb 0.13 -1.61 0.01 0.00 -0.02 0.00 0.00 31.44 29.96 1h5k n GLU 239 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1h5k n GLN 240 N 0.96 -2.68 -0.54 3.49 1.13 -0.30 -4.58 117.38 114.86 1h5k n GLN 240 Ca 0.21 0.69 0.04 0.00 -1.94 0.00 0.00 57.00 56.00 1h5k n GLN 240 Cb 0.67 -5.03 0.23 0.00 0.11 0.00 0.00 30.24 26.22 1h5k n GLN 240 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1h5k n LYS 241 N -2.87 2.38 -2.19 -1.09 5.02 0.68 -0.64 118.16 119.45 1h5k n LYS 241 Ca -0.12 -2.94 -0.41 0.00 -2.02 0.00 0.00 58.31 52.82 1h5k n LYS 241 Cb 0.61 -1.81 -0.03 0.00 -0.02 0.00 0.00 35.03 33.78 1h5k n LYS 241 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1h5k s GLY 242 N -2.23 2.98 -0.03 0.72 0.00 -1.25 -4.70 107.32 102.80 1h5k s GLY 242 Ca 0.42 1.19 -0.21 0.00 0.00 0.00 0.00 44.72 46.12 1h5k s GLY 242 CO 0.05 1.85 0.93 -2.00 0.00 0.00 0.00 173.10 173.93 1h5k h LEU 243 N 3.59 -0.33-10.22 0.66 5.85 -1.93 -3.43 115.31 109.49 1h5k h LEU 243 Ca -0.48 -0.20 -0.46 0.00 0.84 0.00 0.00 57.88 57.58 1h5k h LEU 243 Cb 1.22 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.33 1h5k h LEU 243 CO 0.66 0.14 -0.36 0.27 -0.34 0.00 0.00 178.44 178.81 1h5k s ILE 244 N -3.82 5.01 0.19 4.05 -4.36 -1.26 -4.95 121.20 116.06 1h5k s ILE 244 Ca -0.12 -0.87 -0.14 0.00 -0.26 0.00 0.00 60.65 59.25 1h5k s ILE 244 Cb 0.01 -3.78 0.14 0.00 1.25 0.00 0.00 42.46 40.08 1h5k s ILE 244 CO 0.44 -0.35 1.67 -0.61 0.24 0.00 0.00 174.94 176.33 1h5k h GLN 245 N 1.02 0.07 -0.03 0.37 4.15 -1.87 -0.78 115.11 118.04 1h5k h GLN 245 Ca -0.50 -0.00 0.01 0.00 0.77 0.00 0.00 58.65 58.92 1h5k h GLN 245 Cb 1.23 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.91 1h5k h GLN 245 CO 0.60 0.04 0.03 0.66 -1.93 0.00 0.00 178.83 178.23 1h5k h SER 246 N 0.07 0.00 0.21 -0.69 4.64 -1.58 -0.95 113.55 115.26 1h5k h SER 246 Ca 0.25 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.56 1h5k h SER 246 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1h5k h SER 246 CO -0.45 0.00 -0.10 0.44 -0.87 0.00 0.00 176.83 175.85 1h5k h ASP 247 N 0.00 -0.24 0.15 4.97 3.32 -1.47 -3.32 116.42 119.82 1h5k h ASP 247 Ca 0.01 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 56.81 1h5k h ASP 247 Cb 0.07 0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 1h5k h ASP 247 CO -0.00 0.28 -0.10 -0.61 -1.72 0.00 0.00 179.24 177.10 1h5k h GLN 248 N -0.95 0.00 -0.06 3.56 5.75 -1.18 -2.54 115.11 119.68 1h5k h GLN 248 Ca -0.03 0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.49 1h5k h GLN 248 Cb 0.47 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.01 1h5k h GLN 248 CO 0.05 0.10 0.05 0.93 -2.65 0.00 0.00 178.83 177.31 1h5k h GLU 249 N 0.00 0.00 0.00 1.69 4.39 -1.28 0.13 114.58 119.51 1h5k h GLU 249 Ca -0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1h5k h GLU 249 Cb 0.20 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1h5k h GLU 249 CO 0.01 0.00 -0.15 -0.07 -1.16 0.00 0.00 179.01 177.65 1h5k h LEU 250 N 0.00 0.00 0.00 1.33 3.38 -1.58 -1.96 115.31 116.48 1h5k h LEU 250 Ca 0.03 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.79 1h5k h LEU 250 Cb 0.13 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1h5k h LEU 250 CO -0.00 0.15 -1.79 0.33 0.09 0.00 0.00 178.44 177.21 1h5k n PHE 251 N -3.94 0.00 0.59 1.13 7.35 -0.53 -3.54 117.46 118.51 1h5k n PHE 251 Ca -0.02 0.00 0.06 0.00 -0.76 0.00 0.00 57.45 56.73 1h5k n PHE 251 Cb 0.24 -0.57 -0.08 0.00 0.35 0.00 0.00 39.48 39.42 1h5k n PHE 251 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1h5k n SER 252 N -2.44 0.72 -4.76 -2.13 7.64 -0.08 -4.86 113.62 107.72 1h5k n SER 252 Ca -0.19 -0.76 -0.38 0.00 1.01 0.00 0.00 58.87 58.55 1h5k n SER 252 Cb 0.87 1.05 0.02 0.00 -1.01 0.00 0.00 64.21 65.14 1h5k n SER 252 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1h5k s SER 253 N -2.37 5.58 0.45 6.43 0.15 -0.74 -4.87 113.70 118.33 1h5k s SER 253 Ca 0.04 2.60 0.31 0.00 0.70 0.00 0.00 55.95 59.60 1h5k s SER 253 Cb 0.10 -2.62 1.52 0.00 -1.71 0.00 0.00 66.02 63.31 1h5k s SER 253 CO 0.56 -1.35 1.93 -0.65 1.20 0.00 0.00 173.24 174.93 1h5k h PRO 254 N 1.65 0.00 -0.69 5.44 0.11 -1.95 -0.56 132.00 136.00 1h5k h PRO 254 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1h5k h PRO 254 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1h5k h PRO 254 CO 0.58 0.00 0.00 -1.71 -0.21 0.00 0.00 178.00 176.66 1h5k n ASN 255 N -2.63 4.55 -0.97 -2.05 4.05 -1.26 -4.54 115.26 112.41 1h5k n ASN 255 Ca -0.01 -2.32 0.04 0.00 0.45 0.00 0.00 54.58 52.74 1h5k n ASN 255 Cb 0.13 -0.56 0.17 0.00 1.23 0.00 0.00 39.78 40.76 1h5k n ASN 255 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1h5k n ALA 256 N 1.31 2.92 -0.23 5.20 0.00 -0.22 -4.40 120.51 125.09 1h5k n ALA 256 Ca 0.26 -0.77 0.13 0.00 0.00 0.00 0.00 53.44 53.05 1h5k n ALA 256 Cb 0.82 -1.03 0.42 0.00 0.00 0.00 0.00 19.45 19.66 1h5k n ALA 256 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1h5k h THR 257 N 1.84 0.83 0.00 0.00 2.02 -1.82 -0.21 112.91 115.57 1h5k h THR 257 Ca 0.00 -0.20 -0.12 0.00 0.77 0.00 0.00 66.41 66.85 1h5k h THR 257 Cb 0.95 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 1h5k h THR 257 CO 0.15 0.11 -1.18 -2.24 0.37 0.00 0.00 175.52 172.74 1h5k h ASP 258 N 0.59 0.00 0.67 4.18 2.03 -1.97 -3.38 116.42 118.54 1h5k h ASP 258 Ca 0.41 0.00 -0.21 0.00 -0.73 0.00 0.00 57.03 56.50 1h5k h ASP 258 Cb 0.74 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.21 1h5k h ASP 258 CO -0.17 0.44 -1.47 0.71 -1.03 0.00 0.00 179.24 177.73 1h5k h THR 259 N 0.00 0.68 -0.17 1.15 1.35 -1.64 -3.38 112.91 110.90 1h5k h THR 259 Ca -0.11 -2.31 0.03 0.00 -0.55 0.00 0.00 66.41 63.47 1h5k h THR 259 Cb 1.43 2.22 -0.03 0.00 -1.73 0.00 0.00 68.15 70.04 1h5k h THR 259 CO 0.04 0.39 -0.03 0.40 -0.25 0.00 0.00 175.52 176.07 1h5k h ILE 260 N 0.00 0.85 -0.09 6.82 2.04 -1.11 -0.24 117.51 125.78 1h5k h ILE 260 Ca -0.19 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1h5k h ILE 260 Cb 1.74 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.64 1h5k h ILE 260 CO 0.06 0.00 -0.00 1.55 0.00 0.00 0.00 178.15 179.77 1h5k h PRO 261 N 0.02 0.13 -0.18 2.37 0.13 -1.78 -0.70 132.00 131.99 1h5k h PRO 261 Ca 0.08 -0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 65.08 1h5k h PRO 261 Cb 0.11 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.22 1h5k h PRO 261 CO -0.16 0.14 -0.36 -0.07 -0.23 0.00 0.00 178.00 177.32 1h5k h LEU 262 N 0.13 0.64 -0.25 1.56 3.38 -1.57 -0.91 115.31 118.28 1h5k h LEU 262 Ca 0.03 -0.55 0.03 0.00 0.09 0.00 0.00 57.88 57.48 1h5k h LEU 262 Cb 0.09 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1h5k h LEU 262 CO 0.00 1.07 0.08 0.58 0.09 0.00 0.00 178.44 180.26 1h5k h VAL 263 N 0.23 0.93 -0.50 1.22 2.07 -0.38 -1.08 116.25 118.74 1h5k h VAL 263 Ca 0.01 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 1h5k h VAL 263 Cb 0.96 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1h5k h VAL 263 CO 0.08 0.03 0.30 0.03 0.02 0.00 0.00 177.57 178.03 1h5k h ARG 264 N 0.19 0.69 -0.91 1.57 3.08 -1.13 -1.21 114.38 116.65 1h5k h ARG 264 Ca 0.11 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1h5k h ARG 264 Cb 0.08 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 1h5k h ARG 264 CO -0.12 0.51 0.58 0.66 -1.07 0.00 0.00 179.97 180.52 1h5k h SER 265 N 0.67 1.07 0.98 7.04 4.64 -0.75 -0.43 113.55 126.76 1h5k h SER 265 Ca 0.18 -0.05 -0.14 0.00 -0.47 0.00 0.00 61.79 61.32 1h5k h SER 265 Cb 0.00 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 61.80 1h5k h SER 265 CO -0.03 0.80 -0.65 -0.26 -0.87 0.00 0.00 176.83 175.81 1h5k h PHE 266 N 1.25 0.00 -0.00 4.77 0.04 -0.96 -2.49 116.94 119.55 1h5k h PHE 266 Ca 0.33 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.93 1h5k h PHE 266 Cb -0.10 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.03 1h5k h PHE 266 CO 0.00 0.65 -0.81 0.00 -0.60 0.00 0.00 178.31 177.56 1h5k h ALA 267 N 1.35 0.65 0.00 2.45 0.00 -0.75 -3.27 119.26 119.69 1h5k h ALA 267 Ca -0.01 -0.70 -0.18 0.00 0.00 0.00 0.00 54.91 54.02 1h5k h ALA 267 Cb 1.32 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 1h5k h ALA 267 CO 0.09 0.94 -0.85 -0.91 0.00 0.00 0.00 179.25 178.51 1h5k h ASN 268 N 0.05 0.00 -3.32 0.00 -0.26 -0.99 -3.45 115.58 107.60 1h5k h ASN 268 Ca -0.02 0.00 -0.37 0.00 -0.56 0.00 0.00 56.30 55.35 1h5k h ASN 268 Cb 1.41 0.00 -0.39 0.00 -1.06 0.00 0.00 38.32 38.28 1h5k h ASN 268 CO 0.11 0.85 -0.74 -0.55 -1.06 0.00 0.00 177.43 176.04 1h5k s SER 269 N -6.67 1.08 0.20 5.81 0.15 -0.95 -5.01 113.70 108.33 1h5k s SER 269 Ca 0.01 0.07 -0.10 0.00 0.70 0.00 0.00 55.95 56.64 1h5k s SER 269 Cb 0.10 -0.14 0.14 0.00 -1.71 0.00 0.00 66.02 64.41 1h5k s SER 269 CO 0.80 -0.24 1.83 0.74 1.20 0.00 0.00 173.24 177.57 1h5k h THR 270 N 6.43 1.22 -0.52 6.45 2.02 -1.88 -1.64 112.91 124.99 1h5k h THR 270 Ca -0.15 -0.51 0.01 0.00 0.77 0.00 0.00 66.41 66.53 1h5k h THR 270 Cb 1.12 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 1h5k h THR 270 CO 0.18 0.23 0.33 -0.61 0.37 0.00 0.00 175.52 176.02 1h5k h GLN 271 N 1.02 0.65 -0.51 6.66 4.15 -1.94 0.25 115.11 125.39 1h5k h GLN 271 Ca 0.26 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.64 1h5k h GLN 271 Cb 0.00 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 1h5k h GLN 271 CO -0.05 0.43 0.29 1.15 -1.93 0.00 0.00 178.83 178.72 1h5k h THR 272 N 0.67 1.17 0.23 2.39 2.02 -1.78 -1.05 112.91 116.56 1h5k h THR 272 Ca 0.20 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 1h5k h THR 272 Cb -0.04 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1h5k h THR 272 CO -0.06 0.18 -0.11 0.15 0.37 0.00 0.00 175.52 176.05 1h5k h PHE 273 N 0.68 -0.29 -0.90 3.16 3.57 -0.82 -2.12 116.94 120.22 1h5k h PHE 273 Ca 0.18 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.77 1h5k h PHE 273 Cb 0.03 0.10 -0.07 0.00 2.79 0.00 0.00 35.95 38.79 1h5k h PHE 273 CO -0.02 -0.01 0.54 0.74 -2.23 0.00 0.00 178.31 177.33 1h5k h PHE 274 N -0.56 0.99 -0.34 0.41 -1.00 -0.44 0.30 116.94 116.29 1h5k h PHE 274 Ca -0.03 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 1h5k h PHE 274 Cb 0.41 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 39.65 1h5k h PHE 274 CO 0.01 0.42 0.13 -0.91 -1.61 0.00 0.00 178.31 176.34 1h5k h ASN 275 N 0.91 0.47 -0.32 2.17 2.35 -1.15 -1.68 115.58 118.32 1h5k h ASN 275 Ca 0.43 -0.17 -0.07 0.00 -0.55 0.00 0.00 56.30 55.93 1h5k h ASN 275 Cb 0.36 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 1h5k h ASN 275 CO -0.24 0.52 -0.04 0.00 -1.65 0.00 0.00 177.43 176.01 1h5k h ALA 276 N 0.97 1.14 -0.35 -0.83 0.00 -0.63 -1.88 119.26 117.69 1h5k h ALA 276 Ca 0.11 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1h5k h ALA 276 Cb 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1h5k h ALA 276 CO -0.01 0.55 -0.01 0.35 0.00 0.00 0.00 179.25 180.13 1h5k h PHE 277 N 0.65 0.68 -0.40 0.00 3.57 -0.19 -0.19 116.94 121.06 1h5k h PHE 277 Ca 0.12 -0.12 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1h5k h PHE 277 Cb 0.47 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 1h5k h PHE 277 CO 0.02 0.73 0.15 0.28 -2.23 0.00 0.00 178.31 177.27 1h5k h VAL 278 N 0.43 1.20 -0.30 1.41 2.07 -1.18 0.28 116.25 120.15 1h5k h VAL 278 Ca 0.10 -0.62 0.01 0.00 0.82 0.00 0.00 66.70 67.01 1h5k h VAL 278 Cb 0.47 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1h5k h VAL 278 CO 0.02 0.22 0.17 -0.08 0.02 0.00 0.00 177.57 177.93 1h5k h GLU 279 N 0.50 0.35 -0.27 1.57 4.81 -1.22 -0.72 114.58 119.61 1h5k h GLU 279 Ca 0.13 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.20 1h5k h GLU 279 Cb 0.20 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1h5k h GLU 279 CO -0.01 0.23 -0.41 0.00 -0.73 0.00 0.00 179.01 178.09 1h5k h ALA 280 N 1.14 0.79 -0.64 2.92 0.00 -0.85 -2.14 119.26 120.47 1h5k h ALA 280 Ca 0.12 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 1h5k h ALA 280 Cb 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1h5k h ALA 280 CO -0.06 0.65 0.24 0.52 0.00 0.00 0.00 179.25 180.60 1h5k h MET 281 N 0.52 0.98 -0.01 0.00 2.86 -0.10 0.16 114.93 119.34 1h5k h MET 281 Ca 0.04 -0.19 -0.11 0.00 -2.06 0.00 0.00 59.70 57.38 1h5k h MET 281 Cb 0.93 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.42 1h5k h MET 281 CO 0.08 0.84 -0.53 -0.44 1.06 0.00 0.00 176.91 177.92 1h5k h ASP 282 N 0.92 0.04 -0.26 1.22 3.32 -1.04 0.41 116.42 121.02 1h5k h ASP 282 Ca 0.21 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.14 1h5k h ASP 282 Cb 0.24 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 1h5k h ASP 282 CO -0.01 0.56 -0.26 0.03 -1.72 0.00 0.00 179.24 177.84 1h5k h ARG 283 N 0.03 0.63 -0.52 3.56 3.08 -0.93 -2.35 114.38 117.88 1h5k h ARG 283 Ca -0.00 -0.33 -0.07 0.00 0.07 0.00 0.00 59.98 59.65 1h5k h ARG 283 Cb 0.95 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.99 1h5k h ARG 283 CO 0.07 0.93 0.06 1.98 -1.07 0.00 0.00 179.97 181.94 1h5k h MET 284 N 0.34 0.84 0.00 0.04 4.05 -0.77 -1.58 114.93 117.85 1h5k h MET 284 Ca 0.04 -0.20 0.00 0.00 -0.28 0.00 0.00 59.70 59.26 1h5k h MET 284 Cb 0.82 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.51 1h5k h MET 284 CO 0.06 0.80 0.00 0.41 0.23 0.00 0.00 176.91 178.41 1h5k n GLY 285 N -0.71 -0.91 1.19 1.39 0.00 0.11 -2.31 105.19 103.95 1h5k n GLY 285 Ca 0.03 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.09 1h5k n GLY 285 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1h5k n ASN 286 N -1.37 3.73 -4.65 1.61 4.05 -0.60 -4.83 115.26 113.21 1h5k n ASN 286 Ca 0.06 -2.01 -0.43 0.00 0.45 0.00 0.00 54.58 52.66 1h5k n ASN 286 Cb 0.15 -0.43 -0.02 0.00 1.23 0.00 0.00 39.78 40.71 1h5k n ASN 286 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1h5k s ILE 287 N -1.01 4.06 -0.30 -1.44 1.01 -0.98 -4.34 121.20 118.19 1h5k s ILE 287 Ca 0.43 1.25 -0.08 0.00 0.00 0.00 0.00 60.65 62.26 1h5k s ILE 287 Cb 0.22 -3.89 0.01 0.00 0.01 0.00 0.00 42.46 38.81 1h5k s ILE 287 CO 0.29 -0.20 0.18 0.35 0.00 0.00 0.00 174.94 175.55 1h5k n THR 288 N 5.68 -0.72 -2.45 2.92 -2.24 -1.26 -3.04 114.28 113.16 1h5k n THR 288 Ca 0.15 -0.13 -0.33 0.00 -2.27 0.00 0.00 64.05 61.48 1h5k n THR 288 Cb 0.45 -0.62 -0.04 0.00 -2.10 0.00 0.00 70.33 68.02 1h5k n THR 288 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1h5k s PRO 289 N -5.11 3.91 -0.06 -0.78 0.04 -1.26 -4.50 135.00 127.23 1h5k s PRO 289 Ca 0.11 1.06 -0.18 0.00 0.04 0.00 0.00 61.00 62.03 1h5k s PRO 289 Cb -0.06 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 1h5k s PRO 289 CO 0.26 -0.31 0.48 -0.51 0.04 0.00 0.00 177.00 176.96 1h5k s LEU 290 N -3.89 4.36 0.29 -3.56 1.43 -1.26 -4.97 118.68 111.07 1h5k s LEU 290 Ca 0.61 0.93 0.04 0.00 -1.03 0.00 0.00 54.13 54.68 1h5k s LEU 290 Cb -0.11 -2.71 -0.03 0.00 0.03 0.00 0.00 46.19 43.37 1h5k s LEU 290 CO 0.27 0.12 0.20 0.42 0.23 0.00 0.00 176.35 177.60 1h5k s THR 291 N -0.06 0.08 0.00 5.49 -4.23 -1.26 -0.23 115.64 115.44 1h5k s THR 291 Ca 0.26 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.77 1h5k s THR 291 Cb -0.16 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.18 1h5k s THR 291 CO 0.13 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.82 1h5k n GLY 292 N -0.51 1.95 0.66 3.99 0.00 -1.26 -1.43 105.19 108.58 1h5k n GLY 292 Ca 0.04 0.21 0.07 0.00 0.00 0.00 0.00 46.02 46.34 1h5k n GLY 292 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1h5k n THR 293 N 0.00 0.36 -2.42 2.61 -2.24 -1.26 -4.99 114.28 106.34 1h5k n THR 293 Ca 0.00 -0.68 -0.40 0.00 -2.27 0.00 0.00 64.05 60.70 1h5k n THR 293 Cb 0.00 1.01 -0.04 0.00 -2.10 0.00 0.00 70.33 69.20 1h5k n THR 293 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1h5k s GLN 294 N -1.12 4.56 2.45 -0.78 -0.21 -0.51 -4.81 119.66 119.23 1h5k s GLN 294 Ca 0.21 1.85 0.00 0.00 0.02 0.00 0.00 55.36 57.45 1h5k s GLN 294 Cb 0.13 -3.13 0.00 0.00 1.00 0.00 0.00 33.01 31.01 1h5k s GLN 294 CO 0.19 0.12 0.00 0.41 -2.12 0.00 0.00 175.29 173.89 1h5k n GLY 295 N 1.08 -0.15 3.39 3.09 0.00 -1.26 -4.42 105.19 106.92 1h5k n GLY 295 Ca -0.01 -1.00 -0.23 0.00 0.00 0.00 0.00 46.02 44.78 1h5k n GLY 295 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1h5k n GLN 296 N -0.39 0.49 -3.58 1.61 6.02 -0.75 -4.87 117.38 115.91 1h5k n GLN 296 Ca 0.00 -3.50 -0.40 0.00 -0.01 0.00 0.00 57.00 53.09 1h5k n GLN 296 Cb 0.00 2.36 -0.07 0.00 1.02 0.00 0.00 30.24 33.55 1h5k n GLN 296 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1h5k s ILE 297 N -3.26 4.32 0.29 5.09 -1.09 -1.26 -0.20 121.20 125.08 1h5k s ILE 297 Ca 0.31 -2.62 -0.30 0.00 -2.23 0.00 0.00 60.65 55.81 1h5k s ILE 297 Cb 0.02 -3.77 -0.11 0.00 -1.58 0.00 0.00 42.46 37.01 1h5k s ILE 297 CO 0.22 -0.90 1.58 -0.60 -1.23 0.00 0.00 174.94 174.01 1h5k s ARG 298 N 0.25 4.14 -0.04 2.79 3.52 -1.26 -4.93 118.95 123.43 1h5k s ARG 298 Ca 0.15 2.55 -0.03 0.00 -0.13 0.00 0.00 55.73 58.27 1h5k s ARG 298 Cb -0.18 -3.03 -0.27 0.00 -1.56 0.00 0.00 34.95 29.90 1h5k s ARG 298 CO -0.05 -0.62 0.70 -0.07 -0.81 0.00 0.00 175.30 174.46 1h5k h LEU 299 N 4.93 0.39 -7.84 -0.88 3.38 -1.95 -3.42 115.31 109.92 1h5k h LEU 299 Ca -0.47 -0.63 -0.66 0.00 0.09 0.00 0.00 57.88 56.21 1h5k h LEU 299 Cb 1.22 -0.13 -0.37 0.00 0.09 0.00 0.00 40.66 41.47 1h5k h LEU 299 CO 0.80 1.54 -0.80 0.21 0.09 0.00 0.00 178.44 180.28 1h5k s ASN 300 N -6.94 4.27 0.44 -0.43 3.84 -1.26 -4.92 114.94 109.95 1h5k s ASN 300 Ca -0.12 -1.32 0.24 0.00 0.21 0.00 0.00 52.86 51.87 1h5k s ASN 300 Cb 0.07 -1.49 1.30 0.00 -0.55 0.00 0.00 41.25 40.59 1h5k s ASN 300 CO 0.83 -0.19 1.70 0.00 -2.79 0.00 0.00 177.10 176.66 1h5k h ARG 302 N 0.00 0.00 -3.97 0.00 3.08 -1.95 -3.29 114.38 108.25 1h5k h ARG 302 Ca 0.00 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 1h5k h ARG 302 Cb 0.33 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 30.16 1h5k h ARG 302 CO 0.00 0.00 -0.70 0.14 -1.07 0.00 0.00 179.97 178.34 1h5k s VAL 303 N -3.21 0.11 0.46 2.04 -7.23 -0.58 -1.46 120.40 110.54 1h5k s VAL 303 Ca 0.06 -0.85 -0.22 0.00 -1.81 0.00 0.00 61.98 59.15 1h5k s VAL 303 Cb 0.11 -0.25 -0.08 0.00 0.56 0.00 0.00 36.38 36.72 1h5k s VAL 303 CO 0.70 -0.47 1.11 -0.69 -0.31 0.00 0.00 175.10 175.45 1h5k s VAL 304 N -1.36 3.37 0.52 1.32 1.01 -1.26 -4.46 120.40 119.54 1h5k s VAL 304 Ca -0.15 0.98 -0.21 0.00 0.00 0.00 0.00 61.98 62.59 1h5k s VAL 304 Cb -0.09 -3.47 -0.06 0.00 0.00 0.00 0.00 36.38 32.76 1h5k s VAL 304 CO -0.01 -0.06 1.25 0.20 0.00 0.00 0.00 175.10 176.48 1h5k s ASN 305 N -1.57 5.59 0.00 3.32 0.01 -1.26 -5.04 114.94 115.99 1h5k s ASN 305 Ca 0.64 2.51 0.00 0.00 -0.71 0.00 0.00 52.86 55.30 1h5k s ASN 305 Cb -0.24 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 38.80 1h5k s ASN 305 CO 0.29 -1.33 0.38 -1.54 -1.51 0.00 0.00 177.10 173.40