#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h12 n PHE 2 N 0.00 2.49 -2.67 0.00 7.35 -1.18 -4.67 117.46 118.77 1h12 n PHE 2 Ca 0.00 0.20 -0.42 0.00 -0.76 0.00 0.00 57.45 56.47 1h12 n PHE 2 Cb 0.00 -2.59 -0.03 0.00 0.35 0.00 0.00 39.48 37.21 1h12 n PHE 2 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1h12 s ASN 3 N 0.91 6.19 -0.03 -2.13 3.84 -1.26 -4.86 114.94 117.61 1h12 s ASN 3 Ca 0.75 -0.59 0.08 0.00 0.21 0.00 0.00 52.86 53.32 1h12 s ASN 3 Cb -0.60 -2.50 0.29 0.00 -0.55 0.00 0.00 41.25 37.88 1h12 s ASN 3 CO 0.38 -1.65 1.16 -0.46 -2.79 0.00 0.00 177.10 173.74 1h12 n ASN 4 N 8.64 2.00 -3.21 -4.21 6.94 -1.26 -4.21 115.26 119.95 1h12 n ASN 4 Ca 0.01 -2.11 -0.24 0.00 -0.02 0.00 0.00 54.58 52.22 1h12 n ASN 4 Cb 0.48 -0.31 -0.06 0.00 -2.36 0.00 0.00 39.78 37.53 1h12 n ASN 4 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1h12 n ASN 5 N 0.35 2.40 -4.74 0.53 5.15 -1.26 -4.42 115.26 113.26 1h12 n ASN 5 Ca 0.10 -3.21 -0.42 0.00 -0.60 0.00 0.00 54.58 50.46 1h12 n ASN 5 Cb 0.36 -0.63 -0.00 0.00 -0.53 0.00 0.00 39.78 38.99 1h12 n ASN 5 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1h12 n PRO 6 N 0.64 2.41 -1.89 1.20 -0.04 -1.26 -4.90 135.00 131.16 1h12 n PRO 6 Ca 0.27 0.85 -0.39 0.00 -0.04 0.00 0.00 63.50 64.19 1h12 n PRO 6 Cb 0.49 -2.53 0.02 0.00 -0.04 0.00 0.00 33.50 31.44 1h12 n PRO 6 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1h12 s SER 7 N -0.23 5.79 0.03 3.54 0.15 -1.26 -4.65 113.70 117.06 1h12 s SER 7 Ca 0.55 2.76 0.21 0.00 0.70 0.00 0.00 55.95 60.17 1h12 s SER 7 Cb -0.51 -2.64 0.90 0.00 -1.71 0.00 0.00 66.02 62.06 1h12 s SER 7 CO 0.63 -1.21 1.68 -1.54 1.20 0.00 0.00 173.24 173.99 1h12 n SER 8 N -0.42 0.09 -4.60 5.45 3.41 -1.26 -1.05 113.62 115.24 1h12 n SER 8 Ca 0.07 0.51 -0.36 0.00 -0.26 0.00 0.00 58.87 58.83 1h12 n SER 8 Cb 0.44 -0.54 -0.10 0.00 -0.26 0.00 0.00 64.21 63.75 1h12 n SER 8 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1h12 s VAL 9 N -3.03 4.98 0.66 -3.33 1.01 -1.26 -4.25 120.40 115.18 1h12 s VAL 9 Ca 0.10 0.05 -0.11 0.00 0.00 0.00 0.00 61.98 62.01 1h12 s VAL 9 Cb 0.13 -3.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 1h12 s VAL 9 CO 0.39 0.36 1.05 -0.83 0.00 0.00 0.00 175.10 176.08 1h12 s GLY 10 N 1.09 1.66 0.49 4.51 0.00 -1.24 -4.52 107.32 109.30 1h12 s GLY 10 Ca 0.06 -0.04 0.14 0.00 0.00 0.00 0.00 44.72 44.88 1h12 s GLY 10 CO 0.04 0.26 2.11 0.00 0.00 0.00 0.00 173.10 175.50 1h12 h ALA 11 N -0.54 1.90 -0.86 3.20 0.00 -0.69 -0.95 119.26 121.31 1h12 h ALA 11 Ca -0.44 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1h12 h ALA 11 Cb 1.21 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 1h12 h ALA 11 CO 0.60 0.08 0.48 -0.92 0.00 0.00 0.00 179.25 179.49 1h12 h TYR 12 N 0.09 1.17 0.10 0.00 3.20 -1.30 0.16 116.97 120.39 1h12 h TYR 12 Ca 0.02 -0.02 -0.29 0.00 3.14 0.00 0.00 58.73 61.58 1h12 h TYR 12 Cb 0.05 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 37.93 1h12 h TYR 12 CO 0.00 0.80 -1.47 1.03 -1.64 0.00 0.00 178.16 176.88 1h12 h SER 13 N 1.20 0.34 0.63 -2.11 0.87 -1.51 -3.39 113.55 109.58 1h12 h SER 13 Ca 0.31 -0.46 -0.09 0.00 -1.23 0.00 0.00 61.79 60.31 1h12 h SER 13 Cb 0.01 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 1h12 h SER 13 CO -0.05 1.38 -1.45 -1.54 -0.53 0.00 0.00 176.83 174.64 1h12 n SER 14 N -3.43 0.64 0.00 6.23 3.41 -0.45 -4.95 113.62 115.07 1h12 n SER 14 Ca -0.14 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1h12 n SER 14 Cb 1.03 0.65 0.00 0.00 -0.26 0.00 0.00 64.21 65.64 1h12 n SER 14 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1h12 n GLY 15 N 1.32 0.93 3.50 5.00 0.00 0.55 -5.01 105.19 111.48 1h12 n GLY 15 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 1h12 n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h12 s THR 16 N -3.76 5.03 -0.15 2.61 2.01 -1.25 -5.02 115.64 115.11 1h12 s THR 16 Ca 0.00 -0.14 -0.11 0.00 0.31 0.00 0.00 61.69 61.76 1h12 s THR 16 Cb 0.00 -4.05 -0.05 0.00 0.01 0.00 0.00 72.50 68.42 1h12 s THR 16 CO 0.00 -0.41 0.20 -0.31 -0.69 0.00 0.00 174.62 173.42 1h12 s TYR 17 N 2.30 3.50 0.51 4.92 1.51 -1.26 -4.20 117.35 124.62 1h12 s TYR 17 Ca 0.15 0.52 -0.21 0.00 -1.01 0.00 0.00 57.07 56.52 1h12 s TYR 17 Cb -0.16 -2.17 -0.07 0.00 -0.11 0.00 0.00 41.96 39.45 1h12 s TYR 17 CO 0.15 0.42 1.11 1.03 -1.11 0.00 0.00 175.55 177.15 1h12 s ARG 18 N -0.08 3.58 -0.56 -0.62 0.52 -1.26 -4.94 118.95 115.58 1h12 s ARG 18 Ca 0.14 1.58 0.01 0.00 -0.52 0.00 0.00 55.73 56.94 1h12 s ARG 18 Cb -0.12 -2.13 0.14 0.00 0.52 0.00 0.00 34.95 33.36 1h12 s ARG 18 CO 0.03 -0.66 0.33 1.21 0.02 0.00 0.00 175.30 176.23 1h12 s ASN 19 N -1.72 4.66 0.23 0.23 3.84 -1.26 -3.15 114.94 117.77 1h12 s ASN 19 Ca 0.69 -2.96 -0.08 0.00 0.21 0.00 0.00 52.86 50.72 1h12 s ASN 19 Cb -0.23 -1.72 0.23 0.00 -0.55 0.00 0.00 41.25 38.98 1h12 s ASN 19 CO 0.27 -0.28 1.88 0.25 -2.79 0.00 0.00 177.10 176.42 1h12 h LEU 20 N 6.69 0.89 -1.16 3.21 5.85 -1.72 -1.15 115.31 127.93 1h12 h LEU 20 Ca -0.05 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.66 1h12 h LEU 20 Cb 0.91 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 1h12 h LEU 20 CO 0.70 0.62 0.55 0.00 -0.34 0.00 0.00 178.44 179.97 1h12 h ALA 21 N 1.33 1.38 -0.34 1.25 0.00 -1.25 -1.06 119.26 120.57 1h12 h ALA 21 Ca 0.32 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 1h12 h ALA 21 Cb -0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1h12 h ALA 21 CO -0.10 0.57 -0.12 0.37 0.00 0.00 0.00 179.25 179.97 1h12 h GLN 22 N 1.15 0.68 -0.85 0.00 4.15 -1.60 -1.29 115.11 117.34 1h12 h GLN 22 Ca 0.31 -0.28 0.15 0.00 0.77 0.00 0.00 58.65 59.60 1h12 h GLN 22 Cb -0.12 -0.03 -0.06 0.00 0.21 0.00 0.00 27.48 27.48 1h12 h GLN 22 CO -0.07 0.86 0.55 0.93 -1.93 0.00 0.00 178.83 179.18 1h12 h GLU 23 N 0.46 0.57 -0.13 1.69 5.08 -0.62 -0.87 114.58 120.75 1h12 h GLU 23 Ca 0.08 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1h12 h GLU 23 Cb 0.63 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1h12 h GLU 23 CO 0.04 0.37 0.00 -1.33 -1.00 0.00 0.00 179.01 177.10 1h12 n MET 24 N -4.53 1.45 -0.91 2.33 2.81 -0.46 -0.80 117.12 117.01 1h12 n MET 24 Ca 0.17 -0.69 0.00 0.00 -1.81 0.00 0.00 57.70 55.37 1h12 n MET 24 Cb 0.50 -1.30 0.00 0.00 -0.71 0.00 0.00 33.22 31.72 1h12 n MET 24 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1h12 n GLY 25 N 0.95 0.47 3.87 3.03 0.00 -0.33 -4.99 105.19 108.17 1h12 n GLY 25 Ca 0.13 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.14 1h12 n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h12 s LYS 26 N -1.31 3.75 0.37 1.61 -0.14 -0.53 -5.02 119.74 118.48 1h12 s LYS 26 Ca 0.00 0.70 0.07 0.00 -1.36 0.00 0.00 55.97 55.38 1h12 s LYS 26 Cb 0.00 -2.20 -0.07 0.00 -1.68 0.00 0.00 37.83 33.88 1h12 s LYS 26 CO 0.00 -0.31 -0.02 0.95 -0.76 0.00 0.00 175.35 175.21 1h12 s THR 27 N -2.77 1.90 -1.48 2.17 -4.23 -1.26 -4.62 115.64 105.35 1h12 s THR 27 Ca 0.55 -2.06 -0.12 0.00 -1.18 0.00 0.00 61.69 58.87 1h12 s THR 27 Cb -0.10 -2.83 0.08 0.00 1.34 0.00 0.00 72.50 70.99 1h12 s THR 27 CO 0.40 -0.08 0.83 -0.46 -0.54 0.00 0.00 174.62 174.77 1h12 n ASN 28 N -0.84 -4.73 0.02 3.99 0.23 -1.26 -4.88 115.26 107.78 1h12 n ASN 28 Ca -0.05 -0.63 -0.13 0.00 -0.53 0.00 0.00 54.58 53.24 1h12 n ASN 28 Cb 0.66 -3.81 -0.09 0.00 -2.08 0.00 0.00 39.78 34.46 1h12 n ASN 28 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 1h12 h ILE 29 N -1.74 1.17 -0.50 1.53 2.04 -1.99 -2.28 117.51 115.73 1h12 h ILE 29 Ca -0.54 -0.61 -0.07 0.00 1.00 0.00 0.00 64.86 64.64 1h12 h ILE 29 Cb 1.36 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 39.00 1h12 h ILE 29 CO 0.63 0.16 0.04 1.56 0.00 0.00 0.00 178.15 180.54 1h12 h GLN 30 N -0.30 0.81 -0.88 2.37 1.08 -1.95 -1.45 115.11 114.80 1h12 h GLN 30 Ca -0.00 -0.20 0.01 0.00 -1.45 0.00 0.00 58.65 57.01 1h12 h GLN 30 Cb 0.28 -0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 27.56 1h12 h GLN 30 CO 0.01 0.79 0.58 1.96 -0.95 0.00 0.00 178.83 181.22 1h12 h GLN 31 N 0.77 1.14 -0.51 1.46 7.50 -1.94 0.05 115.11 123.58 1h12 h GLN 31 Ca 0.16 -0.07 -0.08 0.00 0.50 0.00 0.00 58.65 59.15 1h12 h GLN 31 Cb 0.40 -0.26 -0.02 0.00 0.05 0.00 0.00 27.48 27.66 1h12 h GLN 31 CO 0.01 0.75 -0.01 -0.22 -1.50 0.00 0.00 178.83 177.86 1h12 h LYS 32 N 1.17 0.90 -0.21 1.46 3.64 -0.79 0.49 116.57 123.23 1h12 h LYS 32 Ca 0.33 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1h12 h LYS 32 Cb -0.11 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 1h12 h LYS 32 CO -0.08 0.94 0.14 0.28 -2.27 0.00 0.00 179.45 178.45 1h12 h VAL 33 N 0.77 1.06 -0.58 2.00 2.07 -0.94 -1.33 116.25 119.30 1h12 h VAL 33 Ca 0.14 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.50 1h12 h VAL 33 Cb 0.54 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1h12 h VAL 33 CO 0.03 0.06 0.24 0.78 0.02 0.00 0.00 177.57 178.70 1h12 h ASN 34 N 0.28 0.80 0.10 0.57 2.35 -0.79 -2.31 115.58 116.59 1h12 h ASN 34 Ca 0.08 -0.17 -0.08 0.00 -0.55 0.00 0.00 56.30 55.58 1h12 h ASN 34 Cb -0.02 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 1h12 h ASN 34 CO -0.02 0.75 -0.26 0.28 -1.65 0.00 0.00 177.43 176.53 1h12 h SER 35 N 0.81 0.26 0.01 5.81 0.02 -0.79 -0.42 113.55 119.25 1h12 h SER 35 Ca 0.20 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1h12 h SER 35 Cb 0.19 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 1h12 h SER 35 CO -0.02 0.53 -0.02 0.74 -1.14 0.00 0.00 176.83 176.92 1h12 h THR 36 N 0.24 0.95 -0.36 -2.27 2.02 -0.87 0.24 112.91 112.86 1h12 h THR 36 Ca 0.04 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.20 1h12 h THR 36 Cb 0.59 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 1h12 h THR 36 CO 0.04 0.00 0.15 0.15 0.37 0.00 0.00 175.52 176.23 1h12 h PHE 37 N -0.04 0.54 -0.66 3.16 3.04 -1.16 -1.46 116.94 120.36 1h12 h PHE 37 Ca 0.01 -0.04 -0.01 0.00 3.98 0.00 0.00 57.97 61.90 1h12 h PHE 37 Cb 0.05 -0.16 -0.03 0.00 2.56 0.00 0.00 35.95 38.36 1h12 h PHE 37 CO -0.09 0.49 0.36 -0.44 -2.02 0.00 0.00 178.31 176.61 1h12 h ASP 38 N 0.43 0.81 0.39 0.41 3.32 -0.81 0.17 116.42 121.15 1h12 h ASP 38 Ca 0.12 -0.06 -0.23 0.00 0.02 0.00 0.00 57.03 56.88 1h12 h ASP 38 Cb 0.18 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1h12 h ASP 38 CO -0.01 0.66 -0.99 0.78 -1.72 0.00 0.00 179.24 177.96 1h12 h ASN 39 N 0.92 0.50 -0.01 6.45 2.35 -0.83 -0.82 115.58 124.15 1h12 h ASN 39 Ca 0.24 -0.42 -0.10 0.00 -0.55 0.00 0.00 56.30 55.46 1h12 h ASN 39 Cb 0.02 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 1h12 h ASN 39 CO -0.04 1.24 -0.29 -0.03 -1.65 0.00 0.00 177.43 176.66 1h12 h MET 40 N 0.20 0.45 -0.58 0.81 4.05 -0.74 -3.08 114.93 116.04 1h12 h MET 40 Ca -0.09 -0.18 0.00 0.00 -0.28 0.00 0.00 59.70 59.16 1h12 h MET 40 Cb 1.63 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 32.41 1h12 h MET 40 CO 0.17 0.69 0.00 1.19 0.23 0.00 0.00 176.91 179.19 1h12 n PHE 41 N -4.10 0.77 -4.04 1.39 3.01 0.00 -0.81 117.46 113.68 1h12 n PHE 41 Ca -0.01 -0.45 -0.23 0.00 1.01 0.00 0.00 57.45 57.78 1h12 n PHE 41 Cb 0.42 -0.01 -0.04 0.00 -0.01 0.00 0.00 39.48 39.85 1h12 n PHE 41 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1h12 s GLY 42 N -1.08 1.42 -1.30 1.37 0.00 -0.31 -4.89 107.32 102.52 1h12 s GLY 42 Ca 0.41 -1.28 -0.09 0.00 0.00 0.00 0.00 44.72 43.77 1h12 s GLY 42 CO 0.29 -1.30 2.03 -1.72 0.00 0.00 0.00 173.10 172.39 1h12 n TYR 43 N -1.07 2.84 0.27 1.90 4.01 -1.26 -4.50 117.16 119.35 1h12 n TYR 43 Ca -0.08 -2.80 0.03 0.00 -0.16 0.00 0.00 57.90 54.88 1h12 n TYR 43 Cb 0.57 -1.95 -0.03 0.00 -0.31 0.00 0.00 39.34 37.62 1h12 n TYR 43 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1h12 n ASN 44 N 3.41 0.40 -1.91 7.72 0.23 -1.26 -4.99 115.26 118.86 1h12 n ASN 44 Ca 0.46 -0.62 -0.14 0.00 -0.53 0.00 0.00 54.58 53.75 1h12 n ASN 44 Cb 0.33 1.01 -0.03 0.00 -2.08 0.00 0.00 39.78 39.01 1h12 n ASN 44 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1h12 n ASN 45 N -1.16 -4.05 0.00 0.53 0.23 -1.26 -4.78 115.26 104.77 1h12 n ASN 45 Ca 0.01 0.25 0.00 0.00 -0.53 0.00 0.00 54.58 54.31 1h12 n ASN 45 Cb 0.09 -3.57 0.00 0.00 -2.08 0.00 0.00 39.78 34.22 1h12 n ASN 45 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 1h12 n THR 46 N -2.72 0.00 0.41 5.53 -1.04 -1.26 -4.80 114.28 110.40 1h12 n THR 46 Ca -0.16 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 61.98 1h12 n THR 46 Cb 0.55 -0.64 0.18 0.00 -1.82 0.00 0.00 70.33 68.59 1h12 n THR 46 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1h12 h GLN 47 N 0.00 0.00 -6.41 -2.82 7.50 -1.79 -3.34 115.11 108.26 1h12 h GLN 47 Ca 0.00 0.00 -0.63 0.00 0.50 0.00 0.00 58.65 58.52 1h12 h GLN 47 Cb 0.00 0.00 0.07 0.00 0.05 0.00 0.00 27.48 27.60 1h12 h GLN 47 CO 0.00 0.00 0.45 0.94 -1.50 0.00 0.00 178.83 178.72 1h12 n GLN 48 N -2.46 1.49 0.00 1.46 7.27 -1.17 -4.50 117.38 119.48 1h12 n GLN 48 Ca 0.03 0.53 0.00 0.00 0.07 0.00 0.00 57.00 57.63 1h12 n GLN 48 Cb 0.48 -2.13 0.00 0.00 2.41 0.00 0.00 30.24 31.00 1h12 n GLN 48 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1h12 n LEU 49 N 2.29 0.00 -4.54 1.69 4.77 0.01 -4.86 117.00 116.36 1h12 n LEU 49 Ca 0.15 -0.16 -0.41 0.00 -0.03 0.00 0.00 56.01 55.56 1h12 n LEU 49 Cb 0.26 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.26 1h12 n LEU 49 CO 0.62 0.00 0.05 -0.47 -1.33 0.00 0.00 177.39 176.25 1h12 s TYR 50 N -1.48 3.21 0.01 -1.77 6.14 -1.08 -0.88 117.35 121.49 1h12 s TYR 50 Ca 0.00 -0.03 0.05 0.00 0.64 0.00 0.00 57.07 57.73 1h12 s TYR 50 Cb 0.00 -2.69 -0.02 0.00 0.42 0.00 0.00 41.96 39.67 1h12 s TYR 50 CO 0.00 -0.45 -0.17 0.71 0.64 0.00 0.00 175.55 176.28 1h12 s TYR 51 N 2.04 1.47 0.46 4.97 1.51 -0.09 -4.80 117.35 122.90 1h12 s TYR 51 Ca 0.12 -0.31 -0.21 0.00 -1.01 0.00 0.00 57.07 55.66 1h12 s TYR 51 Cb -0.17 -0.92 -0.08 0.00 -0.11 0.00 0.00 41.96 40.68 1h12 s TYR 51 CO 0.12 0.01 1.05 -1.25 -1.11 0.00 0.00 175.55 174.36 1h12 s PRO 52 N -0.66 3.88 -0.18 -1.71 0.04 -1.26 -0.96 135.00 134.15 1h12 s PRO 52 Ca 0.06 1.43 -0.01 0.00 0.04 0.00 0.00 61.00 62.52 1h12 s PRO 52 Cb -0.07 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1h12 s PRO 52 CO 0.00 -0.37 -0.13 -0.47 0.04 0.00 0.00 177.00 176.07 1h12 s TYR 53 N -1.86 2.83 0.16 0.56 5.04 0.61 -4.89 117.35 119.80 1h12 s TYR 53 Ca 0.65 -1.13 0.09 0.00 -2.44 0.00 0.00 57.07 54.24 1h12 s TYR 53 Cb -0.19 -1.95 -0.04 0.00 0.35 0.00 0.00 41.96 40.14 1h12 s TYR 53 CO 0.23 -0.55 -0.20 0.95 -1.34 0.00 0.00 175.55 174.63 1h12 s THR 54 N 1.06 1.93 -0.15 4.34 -4.23 -1.26 -1.21 115.64 116.12 1h12 s THR 54 Ca -0.01 -1.86 -0.00 0.00 -1.18 0.00 0.00 61.69 58.64 1h12 s THR 54 Cb -0.15 -1.85 0.04 0.00 1.34 0.00 0.00 72.50 71.88 1h12 s THR 54 CO -0.03 -0.20 -0.06 -1.61 -0.54 0.00 0.00 174.62 172.17 1h12 s GLU 55 N -2.56 1.47 -1.49 3.99 2.02 -0.17 -4.77 118.70 117.19 1h12 s GLU 55 Ca 0.15 -0.45 -0.12 0.00 0.02 0.00 0.00 54.97 54.57 1h12 s GLU 55 Cb -0.07 -1.90 0.08 0.00 0.10 0.00 0.00 34.13 32.34 1h12 s GLU 55 CO 0.07 -0.39 0.82 0.09 0.02 0.00 0.00 175.26 175.87 1h12 n ASN 56 N 4.89 -4.65 0.00 -0.19 3.02 -1.26 -1.18 115.26 115.89 1h12 n ASN 56 Ca -0.12 -0.65 0.00 0.00 -0.03 0.00 0.00 54.58 53.78 1h12 n ASN 56 Cb 0.48 -3.75 0.00 0.00 -0.61 0.00 0.00 39.78 35.91 1h12 n ASN 56 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1h12 n GLY 57 N -1.54 1.30 3.64 7.41 0.00 -1.26 -5.01 105.19 109.72 1h12 n GLY 57 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 1h12 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h12 s VAL 58 N -3.58 5.25 0.26 1.61 1.01 -0.32 -5.05 120.40 119.58 1h12 s VAL 58 Ca 0.00 0.46 -0.30 0.00 0.00 0.00 0.00 61.98 62.14 1h12 s VAL 58 Cb 0.00 -3.63 -0.11 0.00 0.00 0.00 0.00 36.38 32.64 1h12 s VAL 58 CO 0.00 0.25 1.54 -0.47 0.00 0.00 0.00 175.10 176.42 1h12 s TYR 59 N 1.52 2.88 0.02 5.22 5.04 -1.26 -1.00 117.35 129.77 1h12 s TYR 59 Ca 0.13 0.83 -0.04 0.00 -2.44 0.00 0.00 57.07 55.56 1h12 s TYR 59 Cb -0.15 -3.97 -0.01 0.00 0.35 0.00 0.00 41.96 38.18 1h12 s TYR 59 CO 0.08 -3.29 -0.07 1.63 -1.34 0.00 0.00 175.55 172.56 1h12 n LYS 60 N 2.46 0.11 -2.89 4.97 4.76 -0.35 -4.91 118.16 122.31 1h12 n LYS 60 Ca 0.08 0.04 -0.03 0.00 -2.87 0.00 0.00 58.31 55.54 1h12 n LYS 60 Cb 0.38 -0.62 0.01 0.00 -1.84 0.00 0.00 35.03 32.97 1h12 n LYS 60 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1h12 n ALA 61 N -3.50 -1.52 -2.42 7.82 0.00 -1.11 -4.89 120.51 114.88 1h12 n ALA 61 Ca -0.03 -0.68 -0.22 0.00 0.00 0.00 0.00 53.44 52.52 1h12 n ALA 61 Cb 0.11 0.43 -0.10 0.00 0.00 0.00 0.00 19.45 19.88 1h12 n ALA 61 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1h12 s HIS 62 N -3.89 2.00 0.06 0.00 3.76 -0.78 -0.28 115.29 116.16 1h12 s HIS 62 Ca 0.13 -0.44 -0.01 0.00 -0.15 0.00 0.00 55.06 54.59 1h12 s HIS 62 Cb -0.02 -0.91 -0.04 0.00 1.11 0.00 0.00 32.58 32.72 1h12 s HIS 62 CO 0.04 0.52 -0.03 1.52 -0.85 0.00 0.00 174.74 175.94 1h12 s TYR 63 N -2.59 0.59 -0.27 1.40 1.13 -0.14 -4.07 117.35 113.41 1h12 s TYR 63 Ca 0.25 -1.06 -0.21 0.00 -1.41 0.00 0.00 57.07 54.64 1h12 s TYR 63 Cb -0.04 -0.41 -0.01 0.00 -1.10 0.00 0.00 41.96 40.40 1h12 s TYR 63 CO 0.10 -0.36 0.66 0.42 -2.51 0.00 0.00 175.55 173.87 1h12 s ILE 64 N -3.89 4.95 -0.27 -3.49 -1.09 -1.26 -0.92 121.20 115.24 1h12 s ILE 64 Ca 0.09 1.13 -0.23 0.00 -2.23 0.00 0.00 60.65 59.41 1h12 s ILE 64 Cb 0.08 -3.98 -0.01 0.00 -1.58 0.00 0.00 42.46 36.97 1h12 s ILE 64 CO -0.08 -0.03 0.74 -0.75 -1.23 0.00 0.00 174.94 173.58 1h12 s LYS 65 N 2.59 4.09 -1.24 2.79 2.20 -0.06 -4.37 119.74 125.73 1h12 s LYS 65 Ca 0.27 0.69 -0.15 0.00 -0.36 0.00 0.00 55.97 56.42 1h12 s LYS 65 Cb -0.15 -3.67 0.14 0.00 -1.51 0.00 0.00 37.83 32.64 1h12 s LYS 65 CO 0.09 -0.52 1.54 0.00 -0.36 0.00 0.00 175.35 176.10 1h12 n ALA 66 N 5.95 3.85 -1.69 3.13 0.00 0.38 -4.73 120.51 127.40 1h12 n ALA 66 Ca 0.03 -4.14 -0.44 0.00 0.00 0.00 0.00 53.44 48.89 1h12 n ALA 66 Cb 0.48 -3.20 -0.03 0.00 0.00 0.00 0.00 19.45 16.70 1h12 n ALA 66 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1h12 n ILE 67 N 5.04 0.67 -3.29 0.00 5.41 -1.26 -1.81 119.36 124.11 1h12 n ILE 67 Ca 0.40 -0.17 -0.07 0.00 1.00 0.00 0.00 62.75 63.91 1h12 n ILE 67 Cb 0.43 -1.64 -0.06 0.00 -0.71 0.00 0.00 39.64 37.66 1h12 n ILE 67 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1h12 s ASN 68 N 0.55 0.08 0.38 4.38 3.84 -1.26 -4.69 114.94 118.22 1h12 s ASN 68 Ca 0.70 -0.10 0.16 0.00 0.21 0.00 0.00 52.86 53.83 1h12 s ASN 68 Cb -0.61 1.25 0.75 0.00 -0.55 0.00 0.00 41.25 42.09 1h12 s ASN 68 CO 0.45 -0.33 1.80 1.55 -2.79 0.00 0.00 177.10 177.78 1h12 h PRO 69 N 8.14 0.00 0.00 0.43 0.13 -1.89 -0.45 132.00 138.37 1h12 h PRO 69 Ca -0.12 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.81 1h12 h PRO 69 Cb 1.14 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 1h12 h PRO 69 CO 0.26 0.37 -1.23 -0.44 -0.23 0.00 0.00 178.00 176.74 1h12 h ASP 70 N 0.00 0.00 0.00 1.44 3.45 -1.96 -3.40 116.42 115.95 1h12 h ASP 70 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1h12 h ASP 70 Cb 0.75 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.52 1h12 h ASP 70 CO 0.05 0.76 0.00 -0.62 -1.57 0.00 0.00 179.24 177.86 1h12 n GLU 71 N -3.09 0.63 0.00 3.56 4.71 -1.23 -5.12 120.64 120.10 1h12 n GLU 71 Ca -0.07 -0.11 0.00 0.00 -0.01 0.00 0.00 57.16 56.96 1h12 n GLU 71 Cb 0.90 -0.50 0.00 0.00 -1.01 0.00 0.00 31.44 30.83 1h12 n GLU 71 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1h12 n GLY 72 N 0.12 1.47 3.75 0.62 0.00 -0.18 -4.99 105.19 105.98 1h12 n GLY 72 Ca 0.00 -1.53 -0.39 0.00 0.00 0.00 0.00 46.02 44.10 1h12 n GLY 72 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1h12 n ASP 73 N -0.13 2.97 -2.05 1.61 8.00 -1.21 -4.43 116.55 121.31 1h12 n ASP 73 Ca 0.00 1.04 -0.09 0.00 0.71 0.00 0.00 54.79 56.46 1h12 n ASP 73 Cb 0.00 -1.59 -0.03 0.00 -0.02 0.00 0.00 41.12 39.48 1h12 n ASP 73 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1h12 n ASP 74 N -0.61 -0.42 -3.84 -2.24 5.68 -0.75 -4.74 116.55 109.62 1h12 n ASP 74 Ca 0.08 -2.03 -0.21 0.00 -0.50 0.00 0.00 54.79 52.13 1h12 n ASP 74 Cb 0.43 0.92 -0.17 0.00 -1.14 0.00 0.00 41.12 41.16 1h12 n ASP 74 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1h12 s ILE 75 N -2.65 0.44 0.10 2.12 1.01 0.10 -0.47 121.20 121.86 1h12 s ILE 75 Ca 0.18 -0.01 0.10 0.00 0.00 0.00 0.00 60.65 60.92 1h12 s ILE 75 Cb 0.01 -0.52 -0.04 0.00 0.01 0.00 0.00 42.46 41.92 1h12 s ILE 75 CO 0.13 0.23 -0.25 -0.13 0.00 0.00 0.00 174.94 174.92 1h12 s ARG 76 N 1.32 1.42 0.24 2.79 0.52 -1.26 -1.03 118.95 122.95 1h12 s ARG 76 Ca -0.05 -1.24 -0.03 0.00 -0.52 0.00 0.00 55.73 53.90 1h12 s ARG 76 Cb -0.13 -1.79 0.26 0.00 0.52 0.00 0.00 34.95 33.81 1h12 s ARG 76 CO -0.02 0.43 1.67 1.79 0.02 0.00 0.00 175.30 179.19 1h12 h THR 77 N 4.02 1.26 0.29 0.02 1.35 -1.76 -2.23 112.91 115.87 1h12 h THR 77 Ca -0.49 -1.25 -0.00 0.00 -0.55 0.00 0.00 66.41 64.12 1h12 h THR 77 Cb 1.17 1.17 -0.02 0.00 -1.73 0.00 0.00 68.15 68.74 1h12 h THR 77 CO 0.40 0.42 -0.26 -0.33 -0.25 0.00 0.00 175.52 175.50 1h12 h GLU 78 N 0.64 -0.56 -0.84 4.72 5.08 -1.87 -0.81 114.58 120.94 1h12 h GLU 78 Ca 0.10 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1h12 h GLU 78 Cb 0.66 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.00 1h12 h GLU 78 CO 0.05 -0.37 0.48 0.78 -1.00 0.00 0.00 179.01 178.94 1h12 h GLY 79 N -0.58 1.24 0.98 -3.84 0.00 -1.92 -0.24 103.07 98.71 1h12 h GLY 79 Ca -0.01 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.78 1h12 h GLY 79 CO -0.04 0.52 0.03 -1.61 0.00 0.00 0.00 176.54 175.44 1h12 h GLN 80 N 1.17 0.06 -0.22 4.80 5.75 -1.24 -0.69 115.11 124.73 1h12 h GLN 80 Ca 0.30 -0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.67 1h12 h GLN 80 Cb -0.00 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.53 1h12 h GLN 80 CO -0.05 0.04 -0.38 0.66 -2.65 0.00 0.00 178.83 176.45 1h12 h SER 81 N 0.06 0.52 -0.58 -0.69 4.64 -0.72 -1.59 113.55 115.19 1h12 h SER 81 Ca 0.02 -0.22 -0.06 0.00 -0.47 0.00 0.00 61.79 61.05 1h12 h SER 81 Cb 0.00 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 61.92 1h12 h SER 81 CO -0.01 0.86 0.11 -0.50 -0.87 0.00 0.00 176.83 176.41 1h12 h TRP 82 N 0.42 1.00 -0.68 4.77 6.55 -0.95 -1.43 115.95 125.62 1h12 h TRP 82 Ca 0.04 -0.13 -0.04 0.00 0.95 0.00 0.00 58.89 59.70 1h12 h TRP 82 Cb 0.85 -0.28 -0.03 0.00 -0.86 0.00 0.00 29.16 28.85 1h12 h TRP 82 CO 0.03 0.87 0.25 0.78 -1.05 0.00 0.00 178.44 179.32 1h12 h GLY 83 N 0.85 1.11 1.01 1.49 0.00 -0.82 -0.34 103.07 106.37 1h12 h GLY 83 Ca 0.18 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 1h12 h GLY 83 CO 0.01 0.58 0.49 -0.33 0.00 0.00 0.00 176.54 177.29 1h12 h MET 84 N 0.98 1.13 -0.34 4.80 2.86 -1.15 -1.30 114.93 121.91 1h12 h MET 84 Ca 0.23 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1h12 h MET 84 Cb 0.24 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1h12 h MET 84 CO -0.02 0.81 0.19 1.15 1.06 0.00 0.00 176.91 180.11 1h12 h THR 85 N 1.14 1.13 -0.55 2.22 2.02 -0.78 -1.13 112.91 116.97 1h12 h THR 85 Ca 0.30 -0.34 0.01 0.00 0.77 0.00 0.00 66.41 67.15 1h12 h THR 85 Cb -0.03 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 1h12 h THR 85 CO -0.05 0.13 0.36 0.00 0.37 0.00 0.00 175.52 176.33 1h12 h ALA 86 N 1.06 0.69 -0.37 6.16 0.00 -0.87 -2.47 119.26 123.46 1h12 h ALA 86 Ca 0.12 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1h12 h ALA 86 Cb 0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1h12 h ALA 86 CO -0.02 0.12 0.24 0.00 0.00 0.00 0.00 179.25 179.59 1h12 h ALA 87 N 1.21 0.46 -0.33 0.00 0.00 -0.89 -2.72 119.26 116.99 1h12 h ALA 87 Ca 0.20 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1h12 h ALA 87 Cb -0.07 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1h12 h ALA 87 CO -0.05 -0.09 -0.11 -0.24 0.00 0.00 0.00 179.25 178.76 1h12 h VAL 88 N 0.49 1.24 -0.01 0.00 3.04 -1.05 0.17 116.25 120.12 1h12 h VAL 88 Ca 0.14 -1.04 -0.05 0.00 -1.01 0.00 0.00 66.70 64.74 1h12 h VAL 88 Cb -0.05 1.11 -0.01 0.00 -2.01 0.00 0.00 31.29 30.33 1h12 h VAL 88 CO -0.04 0.35 -0.21 0.24 -1.01 0.00 0.00 177.57 176.90 1h12 h MET 89 N 0.52 0.02 -0.65 4.17 2.86 -1.18 -2.67 114.93 118.01 1h12 h MET 89 Ca 0.10 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1h12 h MET 89 Cb 0.51 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.16 1h12 h MET 89 CO 0.03 0.23 0.00 1.28 1.06 0.00 0.00 176.91 179.51 1h12 n LEU 90 N -4.28 3.94 -2.39 1.22 4.77 -0.94 -4.95 117.00 114.36 1h12 n LEU 90 Ca -0.02 -2.09 -0.16 0.00 -0.03 0.00 0.00 56.01 53.71 1h12 n LEU 90 Cb 0.27 -0.47 0.04 0.00 -2.33 0.00 0.00 43.42 40.94 1h12 n LEU 90 CO 0.37 0.92 0.09 -3.20 -1.33 0.00 0.00 177.39 174.23 1h12 n ASN 91 N 1.35 -4.87 -4.26 -1.43 5.15 -0.70 -4.96 115.26 105.54 1h12 n ASN 91 Ca 0.23 -0.28 -0.43 0.00 -0.60 0.00 0.00 54.58 53.50 1h12 n ASN 91 Cb 0.64 -3.59 -0.02 0.00 -0.53 0.00 0.00 39.78 36.28 1h12 n ASN 91 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1h12 n LYS 92 N -3.30 3.37 -0.07 1.20 4.76 -0.04 -4.91 118.16 119.16 1h12 n LYS 92 Ca -0.04 -4.47 -0.15 0.00 -2.87 0.00 0.00 58.31 50.78 1h12 n LYS 92 Cb 0.56 -2.51 -0.05 0.00 -1.84 0.00 0.00 35.03 31.19 1h12 n LYS 92 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 1h12 h GLN 93 N 6.39 0.79 -0.28 1.97 4.15 -1.93 -1.92 115.11 124.28 1h12 h GLN 93 Ca 0.18 -0.50 0.00 0.00 0.77 0.00 0.00 58.65 59.10 1h12 h GLN 93 Cb 0.84 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.58 1h12 h GLN 93 CO 0.99 1.13 0.18 0.93 -1.93 0.00 0.00 178.83 180.14 1h12 h GLU 94 N 0.54 0.37 -0.36 1.69 5.08 -1.99 0.59 114.58 120.51 1h12 h GLU 94 Ca 0.01 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1h12 h GLU 94 Cb 1.09 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 1h12 h GLU 94 CO 0.11 0.26 0.21 0.93 -1.00 0.00 0.00 179.01 179.52 1h12 h GLU 95 N 0.37 0.42 -0.08 2.33 3.07 -1.97 -0.19 114.58 118.54 1h12 h GLU 95 Ca 0.10 -0.03 0.04 0.00 -0.50 0.00 0.00 59.36 58.97 1h12 h GLU 95 Cb -0.03 -0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 27.74 1h12 h GLU 95 CO -0.02 0.28 -0.17 0.35 -1.40 0.00 0.00 179.01 178.05 1h12 h PHE 96 N 0.43 -0.44 -0.59 4.33 3.04 -1.00 -1.92 116.94 120.79 1h12 h PHE 96 Ca 0.14 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 62.04 1h12 h PHE 96 Cb 0.00 0.21 -0.03 0.00 2.56 0.00 0.00 35.95 38.69 1h12 h PHE 96 CO -0.07 -0.24 0.09 -0.44 -2.02 0.00 0.00 178.31 175.62 1h12 h ASP 97 N -0.24 0.92 -0.66 0.41 3.32 -0.61 0.27 116.42 119.84 1h12 h ASP 97 Ca 0.08 -0.21 -0.08 0.00 0.02 0.00 0.00 57.03 56.84 1h12 h ASP 97 Cb 0.35 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 1h12 h ASP 97 CO -0.22 0.93 0.11 0.78 -1.72 0.00 0.00 179.24 179.12 1h12 h ASN 98 N 0.91 1.05 -0.27 6.45 2.35 -0.88 0.18 115.58 125.36 1h12 h ASN 98 Ca 0.18 -0.25 -0.09 0.00 -0.55 0.00 0.00 56.30 55.59 1h12 h ASN 98 Cb 0.41 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1h12 h ASN 98 CO 0.01 1.04 -0.20 -0.07 -1.65 0.00 0.00 177.43 176.56 1h12 h LEU 99 N 1.03 0.65 -0.77 1.61 3.38 -0.96 -2.02 115.31 118.22 1h12 h LEU 99 Ca 0.20 -0.44 -0.10 0.00 0.09 0.00 0.00 57.88 57.63 1h12 h LEU 99 Cb 0.44 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1h12 h LEU 99 CO 0.01 0.95 -0.12 -0.25 0.09 0.00 0.00 178.44 179.12 1h12 h TRP 100 N 0.35 0.89 -0.76 1.13 -0.00 -0.80 -1.81 115.95 114.95 1h12 h TRP 100 Ca 0.05 -0.17 0.03 0.00 -0.00 0.00 0.00 58.89 58.81 1h12 h TRP 100 Cb 0.74 -0.23 -0.05 0.00 -0.00 0.00 0.00 29.16 29.62 1h12 h TRP 100 CO 0.07 0.88 0.48 -0.09 -0.00 0.00 0.00 178.44 179.78 1h12 h ARG 101 N 0.73 0.91 -0.31 2.65 2.43 -0.99 -0.53 114.38 119.26 1h12 h ARG 101 Ca 0.12 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1h12 h ARG 101 Cb 0.61 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 1h12 h ARG 101 CO 0.04 0.60 0.14 0.35 -1.51 0.00 0.00 179.97 179.60 1h12 h PHE 102 N 0.94 0.44 0.05 2.20 3.04 -1.28 -2.07 116.94 120.26 1h12 h PHE 102 Ca 0.31 -0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.23 1h12 h PHE 102 Cb 0.02 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 38.40 1h12 h PHE 102 CO -0.03 0.40 -0.02 0.00 -2.02 0.00 0.00 178.31 176.63 1h12 h ALA 103 N 1.00 -0.07 -0.37 2.41 0.00 -0.72 0.47 119.26 121.98 1h12 h ALA 103 Ca 0.10 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1h12 h ALA 103 Cb 0.13 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1h12 h ALA 103 CO -0.01 -0.51 -0.04 -0.22 0.00 0.00 0.00 179.25 178.47 1h12 h LYS 104 N -0.12 0.60 0.15 0.00 3.64 -1.11 -0.72 116.57 119.00 1h12 h LYS 104 Ca -0.01 -0.15 -0.24 0.00 -1.27 0.00 0.00 60.65 58.98 1h12 h LYS 104 Cb 0.11 -0.07 0.03 0.00 -0.41 0.00 0.00 32.23 31.88 1h12 h LYS 104 CO 0.01 0.65 -1.03 0.00 -2.27 0.00 0.00 179.45 176.81 1h12 h ALA 105 N 1.40 -0.08 0.00 5.00 0.00 -1.20 -3.38 119.26 120.99 1h12 h ALA 105 Ca 0.11 -0.74 -0.09 0.00 0.00 0.00 0.00 54.91 54.20 1h12 h ALA 105 Cb 0.42 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1h12 h ALA 105 CO 0.02 0.50 -1.33 0.66 0.00 0.00 0.00 179.25 179.09 1h12 n TYR 106 N -3.98 0.00 0.07 0.00 4.01 0.14 -4.69 117.16 112.71 1h12 n TYR 106 Ca -0.14 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.42 1h12 n TYR 106 Cb 0.90 -0.24 -0.14 0.00 -0.31 0.00 0.00 39.34 39.55 1h12 n TYR 106 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1h12 h GLN 107 N 0.00 0.28 -6.61 -0.72 4.20 -1.19 -3.46 115.11 107.61 1h12 h GLN 107 Ca -0.13 -0.48 -0.52 0.00 0.06 0.00 0.00 58.65 57.57 1h12 h GLN 107 Cb 1.28 0.18 0.05 0.00 0.30 0.00 0.00 27.48 29.29 1h12 h GLN 107 CO 0.00 1.16 0.94 0.21 -0.67 0.00 0.00 178.83 180.47 1h12 s LYS 108 N -2.61 4.18 0.27 1.46 2.20 -0.65 -0.68 119.74 123.91 1h12 s LYS 108 Ca -0.09 2.45 -0.29 0.00 -0.36 0.00 0.00 55.97 57.67 1h12 s LYS 108 Cb 0.07 -3.18 -0.09 0.00 -1.51 0.00 0.00 37.83 33.11 1h12 s LYS 108 CO 0.86 -0.67 0.99 -0.80 -0.36 0.00 0.00 175.35 175.37 1h12 s ASN 109 N 1.32 7.47 0.61 1.43 0.02 0.32 -4.90 114.94 121.22 1h12 s ASN 109 Ca 0.72 2.03 -0.19 0.00 -1.02 0.00 0.00 52.86 54.40 1h12 s ASN 109 Cb -0.45 -2.61 -0.03 0.00 0.02 0.00 0.00 41.25 38.17 1h12 s ASN 109 CO 0.32 0.03 1.17 -0.81 0.02 0.00 0.00 177.10 177.82 1h12 n PRO 110 N 1.24 1.12 0.24 -0.60 -0.04 -1.26 -1.79 135.00 133.90 1h12 n PRO 110 Ca -0.01 0.43 0.16 0.00 -0.04 0.00 0.00 63.50 64.04 1h12 n PRO 110 Cb 0.47 -2.38 0.74 0.00 -0.04 0.00 0.00 33.50 32.29 1h12 n PRO 110 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1h12 h ASP 111 N 0.66 0.00 -0.40 3.54 3.32 -1.92 -1.78 116.42 119.83 1h12 h ASP 111 Ca -0.50 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.47 1h12 h ASP 111 Cb 1.34 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.84 1h12 h ASP 111 CO 0.53 0.00 0.05 -0.46 -1.72 0.00 0.00 179.24 177.64 1h12 n ASN 112 N -2.74 3.94 -4.61 6.45 6.94 -1.26 -4.73 115.26 119.25 1h12 n ASN 112 Ca -0.00 -3.21 -0.42 0.00 -0.02 0.00 0.00 54.58 50.93 1h12 n ASN 112 Cb 0.19 -0.62 0.00 0.00 -2.36 0.00 0.00 39.78 37.00 1h12 n ASN 112 CO 0.00 0.00 0.00 1.57 -1.03 0.00 0.00 177.26 177.80 1h12 n HIS 113 N -0.49 1.26 0.29 -2.53 -0.00 -0.67 -4.84 115.22 108.24 1h12 n HIS 113 Ca 0.28 0.58 0.15 0.00 0.46 0.00 0.00 57.72 59.20 1h12 n HIS 113 Cb 1.05 -2.25 0.89 0.00 -0.12 0.00 0.00 29.99 29.56 1h12 n HIS 113 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1h12 h PRO 114 N 1.70 0.00 -5.15 1.57 0.13 -1.95 -3.37 132.00 124.93 1h12 h PRO 114 Ca -0.44 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.02 1h12 h PRO 114 Cb 1.33 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.30 1h12 h PRO 114 CO 0.58 0.04 0.03 0.34 -0.23 0.00 0.00 178.00 178.76 1h12 s ASP 115 N -6.05 6.26 0.51 1.44 -1.08 -1.26 -4.94 116.67 111.55 1h12 s ASP 115 Ca -0.04 -0.60 0.22 0.00 -0.52 0.00 0.00 52.55 51.60 1h12 s ASP 115 Cb 0.14 -2.29 1.31 0.00 -1.46 0.00 0.00 42.92 40.62 1h12 s ASP 115 CO 0.54 -0.78 2.02 0.00 0.52 0.00 0.00 175.17 177.47 1h12 h ALA 116 N 8.89 2.33 0.00 3.66 0.00 -1.98 -0.80 119.26 131.35 1h12 h ALA 116 Ca -0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1h12 h ALA 116 Cb 1.10 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1h12 h ALA 116 CO 0.90 -0.45 0.00 0.87 0.00 0.00 0.00 179.25 180.57 1h12 h LYS 117 N 0.08 0.00 0.00 0.00 1.57 -1.92 -2.78 116.57 113.51 1h12 h LYS 117 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1h12 h LYS 117 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1h12 h LYS 117 CO -0.02 0.00 -0.94 1.63 -0.57 0.00 0.00 179.45 179.55 1h12 n LYS 118 N -2.81 0.05 -1.71 3.15 5.02 -0.31 -4.84 118.16 116.70 1h12 n LYS 118 Ca 0.00 -0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.86 1h12 n LYS 118 Cb 0.23 -1.51 -0.03 0.00 -0.02 0.00 0.00 35.03 33.70 1h12 n LYS 118 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1h12 s GLN 119 N -3.04 4.09 0.00 1.97 -0.21 -1.05 -2.01 119.66 119.41 1h12 s GLN 119 Ca 0.08 2.52 0.00 0.00 0.02 0.00 0.00 55.36 57.98 1h12 s GLN 119 Cb 0.16 -4.15 0.00 0.00 1.00 0.00 0.00 33.01 30.02 1h12 s GLN 119 CO 0.83 -1.01 0.00 0.41 -2.12 0.00 0.00 175.29 173.40 1h12 n GLY 120 N 4.56 0.77 3.91 3.09 0.00 -0.74 -4.90 105.19 111.88 1h12 n GLY 120 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 1h12 n GLY 120 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1h12 s VAL 121 N -3.02 3.22 -0.26 1.61 -7.23 -0.85 -4.71 120.40 109.16 1h12 s VAL 121 Ca 0.00 0.09 -0.07 0.00 -1.81 0.00 0.00 61.98 60.19 1h12 s VAL 121 Cb 0.00 -3.34 -0.02 0.00 0.56 0.00 0.00 36.38 33.58 1h12 s VAL 121 CO 0.00 -0.39 0.07 -0.31 -0.31 0.00 0.00 175.10 174.16 1h12 s TYR 122 N -3.19 3.09 0.09 2.82 1.51 -1.26 -0.52 117.35 119.89 1h12 s TYR 122 Ca 0.57 -0.59 -0.32 0.00 -1.01 0.00 0.00 57.07 55.72 1h12 s TYR 122 Cb -0.11 -2.24 -0.11 0.00 -0.11 0.00 0.00 41.96 39.39 1h12 s TYR 122 CO 0.47 -0.43 1.84 0.00 -1.11 0.00 0.00 175.55 176.32 1h12 n ALA 123 N 4.91 1.91 0.18 3.71 0.00 0.14 -4.06 120.51 127.30 1h12 n ALA 123 Ca -0.16 0.31 0.05 0.00 0.00 0.00 0.00 53.44 53.64 1h12 n ALA 123 Cb 0.50 -2.57 0.31 0.00 0.00 0.00 0.00 19.45 17.69 1h12 n ALA 123 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 1h12 h TRP 124 N 8.65 0.00 -3.26 0.00 5.08 -0.87 -3.41 115.95 122.13 1h12 h TRP 124 Ca -0.47 0.00 -0.49 0.00 1.08 0.00 0.00 58.89 59.01 1h12 h TRP 124 Cb 1.23 0.00 -0.39 0.00 -3.00 0.00 0.00 29.16 27.00 1h12 h TRP 124 CO 0.81 0.40 -0.77 0.21 -1.28 0.00 0.00 178.44 177.81 1h12 s LYS 125 N -3.59 0.77 0.26 0.12 2.20 -1.21 -2.89 119.74 115.40 1h12 s LYS 125 Ca 0.00 -0.21 0.09 0.00 -0.36 0.00 0.00 55.97 55.49 1h12 s LYS 125 Cb 0.11 -1.61 -0.04 0.00 -1.51 0.00 0.00 37.83 34.77 1h12 s LYS 125 CO 0.69 -0.46 0.01 -0.51 -0.36 0.00 0.00 175.35 174.72 1h12 s LEU 126 N 1.87 3.24 0.14 5.43 1.02 -0.19 -0.62 118.68 129.56 1h12 s LEU 126 Ca 0.02 -0.60 -0.03 0.00 0.02 0.00 0.00 54.13 53.54 1h12 s LEU 126 Cb -0.15 -1.77 -0.03 0.00 0.02 0.00 0.00 46.19 44.26 1h12 s LEU 126 CO -0.07 0.01 0.12 -0.54 0.02 0.00 0.00 176.35 175.89 1h12 s LYS 127 N -3.62 1.00 -0.01 1.70 1.02 -0.54 -0.72 119.74 118.57 1h12 s LYS 127 Ca 0.31 -1.37 -0.20 0.00 0.02 0.00 0.00 55.97 54.73 1h12 s LYS 127 Cb -0.07 0.28 -0.05 0.00 -0.52 0.00 0.00 37.83 37.47 1h12 s LYS 127 CO 0.20 -0.31 0.59 -0.51 -0.92 0.00 0.00 175.35 174.40 1h12 s LEU 128 N -3.03 4.42 0.00 3.17 1.43 -1.26 -1.03 118.68 122.38 1h12 s LEU 128 Ca 0.23 1.15 -0.12 0.00 -1.03 0.00 0.00 54.13 54.35 1h12 s LEU 128 Cb 0.06 -2.91 0.17 0.00 0.03 0.00 0.00 46.19 43.54 1h12 s LEU 128 CO 0.02 0.11 0.86 -0.46 0.23 0.00 0.00 176.35 177.10 1h12 n ASN 129 N 2.71 -0.55 0.24 2.29 0.23 0.46 -4.82 115.26 115.83 1h12 n ASN 129 Ca -0.07 -1.20 0.17 0.00 -0.53 0.00 0.00 54.58 52.94 1h12 n ASN 129 Cb 0.51 -0.70 0.78 0.00 -2.08 0.00 0.00 39.78 38.29 1h12 n ASN 129 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 1h12 h GLN 130 N 0.00 0.00 -0.30 -3.83 -0.00 -1.99 -0.66 115.11 108.34 1h12 h GLN 130 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.36 1h12 h GLN 130 Cb 0.83 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.31 1h12 h GLN 130 CO 0.20 0.00 0.00 0.09 -0.00 0.00 0.00 178.83 179.12 1h12 n ASN 131 N -2.76 3.10 0.00 0.06 3.02 -1.26 -4.97 115.26 112.46 1h12 n ASN 131 Ca -0.00 -1.95 0.00 0.00 -0.03 0.00 0.00 54.58 52.60 1h12 n ASN 131 Cb 0.18 -0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 1h12 n ASN 131 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1h12 n GLY 132 N 1.43 0.75 3.87 7.41 0.00 -0.25 -5.07 105.19 113.33 1h12 n GLY 132 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1h12 n GLY 132 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h12 s PHE 133 N -2.23 3.51 0.38 1.61 0.08 -1.26 -4.70 117.98 115.37 1h12 s PHE 133 Ca 0.00 0.38 -0.25 0.00 0.12 0.00 0.00 56.93 57.17 1h12 s PHE 133 Cb 0.00 -1.84 -0.09 0.00 -0.57 0.00 0.00 43.02 40.52 1h12 s PHE 133 CO 0.00 0.65 1.08 0.54 -0.10 0.00 0.00 175.22 177.40 1h12 s VAL 134 N -1.21 3.55 0.10 -0.44 0.11 -1.26 -0.40 120.40 120.85 1h12 s VAL 134 Ca 0.23 1.27 -0.16 0.00 -2.93 0.00 0.00 61.98 60.39 1h12 s VAL 134 Cb -0.12 -3.70 0.03 0.00 -1.53 0.00 0.00 36.38 31.06 1h12 s VAL 134 CO 0.13 0.09 0.38 -0.72 -3.33 0.00 0.00 175.10 171.65 1h12 s TYR 135 N -1.52 -0.18 -0.20 1.54 1.13 -0.20 -4.90 117.35 113.03 1h12 s TYR 135 Ca 0.55 -0.09 -0.24 0.00 -1.41 0.00 0.00 57.07 55.89 1h12 s TYR 135 Cb -0.26 0.22 -0.01 0.00 -1.10 0.00 0.00 41.96 40.80 1h12 s TYR 135 CO 0.32 -0.65 0.77 0.15 -2.51 0.00 0.00 175.55 173.63 1h12 s LYS 136 N -3.51 4.23 -0.09 -3.49 1.02 -1.26 -1.47 119.74 115.17 1h12 s LYS 136 Ca 0.01 0.88 -0.22 0.00 0.02 0.00 0.00 55.97 56.66 1h12 s LYS 136 Cb 0.02 -3.60 -0.29 0.00 -0.52 0.00 0.00 37.83 33.44 1h12 s LYS 136 CO -0.10 -0.37 0.75 0.28 -0.92 0.00 0.00 175.35 174.99 1h12 h VAL 137 N 5.27 1.43 -3.24 3.17 2.07 -1.19 -3.46 116.25 120.30 1h12 h VAL 137 Ca -0.28 -2.45 -0.43 0.00 0.82 0.00 0.00 66.70 64.36 1h12 h VAL 137 Cb 1.12 3.08 -0.39 0.00 -1.52 0.00 0.00 31.29 33.58 1h12 h VAL 137 CO 0.83 0.67 -0.76 -0.62 0.02 0.00 0.00 177.57 177.71 1h12 s ASP 138 N -6.82 1.79 0.23 0.57 -1.08 -0.93 -5.02 116.67 105.40 1h12 s ASP 138 Ca -0.17 -0.24 0.25 0.00 -0.52 0.00 0.00 52.55 51.88 1h12 s ASP 138 Cb 0.01 -0.35 0.86 0.00 -1.46 0.00 0.00 42.92 41.99 1h12 s ASP 138 CO 0.77 -0.25 1.76 -0.62 0.52 0.00 0.00 175.17 177.35 1h12 n GLU 139 N 5.20 0.24 -1.87 4.34 1.02 -1.26 -2.92 120.64 125.39 1h12 n GLU 139 Ca -0.06 0.28 -0.34 0.00 -0.02 0.00 0.00 57.16 57.01 1h12 n GLU 139 Cb 0.49 -1.83 0.04 0.00 -0.02 0.00 0.00 31.44 30.13 1h12 n GLU 139 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1h12 s GLY 140 N -3.57 2.42 0.59 0.62 0.00 -1.26 -4.03 107.32 102.08 1h12 s GLY 140 Ca 0.09 0.76 -0.06 0.00 0.00 0.00 0.00 44.72 45.51 1h12 s GLY 140 CO 0.54 1.13 0.91 2.56 0.00 0.00 0.00 173.10 178.24 1h12 s PRO 141 N -3.72 2.94 -0.51 2.90 0.04 -1.26 -0.85 135.00 134.54 1h12 s PRO 141 Ca 0.72 0.03 0.02 0.00 0.04 0.00 0.00 61.00 61.81 1h12 s PRO 141 Cb -0.25 -2.26 0.13 0.00 0.04 0.00 0.00 34.50 32.17 1h12 s PRO 141 CO 0.37 -0.70 0.27 0.00 0.04 0.00 0.00 177.00 176.98 1h12 s ALA 142 N -3.01 3.31 0.64 8.56 0.00 -1.26 -4.80 121.76 125.19 1h12 s ALA 142 Ca 0.54 -3.12 0.36 0.00 0.00 0.00 0.00 51.96 49.74 1h12 s ALA 142 Cb -0.11 -2.27 2.01 0.00 0.00 0.00 0.00 23.12 22.75 1h12 s ALA 142 CO 0.46 -1.98 2.21 -1.35 0.00 0.00 0.00 175.76 175.10 1h12 h PRO 143 N 6.89 0.00 0.00 0.00 0.11 -1.82 0.14 132.00 137.32 1h12 h PRO 143 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1h12 h PRO 143 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1h12 h PRO 143 CO 0.67 0.00 0.00 0.38 -0.21 0.00 0.00 178.00 178.84 1h12 h ASP 144 N 0.00 0.00 0.27 -2.05 2.03 -1.90 -2.29 116.42 112.48 1h12 h ASP 144 Ca 0.02 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.31 1h12 h ASP 144 Cb 0.24 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.74 1h12 h ASP 144 CO -0.00 0.00 -0.13 1.23 -1.03 0.00 0.00 179.24 179.31 1h12 h GLY 145 N 1.28 -0.38 0.90 7.15 0.00 -0.99 -1.07 103.07 109.95 1h12 h GLY 145 Ca 0.00 0.14 0.04 0.00 0.00 0.00 0.00 47.33 47.51 1h12 h GLY 145 CO 0.00 -0.14 0.64 0.83 0.00 0.00 0.00 176.54 177.87 1h12 h GLU 146 N -0.39 1.19 -0.15 4.80 3.07 -1.64 0.16 114.58 121.62 1h12 h GLU 146 Ca -0.04 -0.07 0.03 0.00 -0.50 0.00 0.00 59.36 58.78 1h12 h GLU 146 Cb 0.30 -0.27 -0.03 0.00 -0.84 0.00 0.00 28.75 27.91 1h12 h GLU 146 CO 0.06 0.78 -0.05 0.93 -1.40 0.00 0.00 179.01 179.34 1h12 h GLU 147 N 1.22 -0.02 -0.39 2.33 5.08 -1.20 -0.55 114.58 121.06 1h12 h GLU 147 Ca 0.39 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.66 1h12 h GLU 147 Cb 0.03 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1h12 h GLU 147 CO -0.13 -0.01 -0.14 1.88 -1.00 0.00 0.00 179.01 179.62 1h12 h TYR 148 N -0.02 0.78 -0.31 4.33 0.05 -0.65 -1.67 116.97 119.48 1h12 h TYR 148 Ca 0.07 -0.14 0.01 0.00 0.05 0.00 0.00 58.73 58.72 1h12 h TYR 148 Cb 0.13 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.65 1h12 h TYR 148 CO -0.19 0.81 0.18 0.74 -1.05 0.00 0.00 178.16 178.65 1h12 h PHE 149 N 0.64 0.35 -0.40 4.88 0.04 -0.34 0.12 116.94 122.22 1h12 h PHE 149 Ca 0.11 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.89 1h12 h PHE 149 Cb 0.60 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.62 1h12 h PHE 149 CO 0.03 0.21 0.26 0.00 -0.60 0.00 0.00 178.31 178.21 1h12 h ALA 150 N 1.13 0.51 0.03 2.45 0.00 -0.94 -0.34 119.26 122.11 1h12 h ALA 150 Ca 0.12 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1h12 h ALA 150 Cb -0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1h12 h ALA 150 CO -0.05 -0.03 -0.17 0.35 0.00 0.00 0.00 179.25 179.35 1h12 h PHE 151 N 0.54 -0.44 -0.76 0.00 3.57 -1.09 -1.37 116.94 117.39 1h12 h PHE 151 Ca 0.15 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 1h12 h PHE 151 Cb -0.05 0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 1h12 h PHE 151 CO -0.05 -0.25 0.37 0.00 -2.23 0.00 0.00 178.31 176.15 1h12 h ALA 152 N 0.60 0.98 -0.64 2.41 0.00 -0.54 -2.35 119.26 119.73 1h12 h ALA 152 Ca 0.04 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1h12 h ALA 152 Cb 0.35 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1h12 h ALA 152 CO -0.14 0.54 0.12 -0.07 0.00 0.00 0.00 179.25 179.70 1h12 h LEU 153 N 1.07 1.01 -0.81 0.00 3.38 -0.92 -0.09 115.31 118.94 1h12 h LEU 153 Ca 0.26 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1h12 h LEU 153 Cb 0.12 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 1h12 h LEU 153 CO -0.03 1.00 0.37 -0.07 0.09 0.00 0.00 178.44 179.80 1h12 h LEU 154 N 0.97 1.08 -0.64 1.67 3.38 -1.08 -0.72 115.31 119.97 1h12 h LEU 154 Ca 0.20 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1h12 h LEU 154 Cb 0.41 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1h12 h LEU 154 CO 0.01 0.92 -0.07 0.78 0.09 0.00 0.00 178.44 180.17 1h12 h ASN 155 N 1.16 0.98 -0.48 -0.43 4.21 -1.13 -2.15 115.58 117.73 1h12 h ASN 155 Ca 0.28 -0.30 -0.01 0.00 1.21 0.00 0.00 56.30 57.47 1h12 h ASN 155 Cb 0.14 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 37.06 1h12 h ASN 155 CO -0.03 1.07 0.26 0.00 -1.29 0.00 0.00 177.43 177.44 1h12 h ALA 156 N 1.02 0.62 -0.41 -0.83 0.00 -0.66 -0.70 119.26 118.30 1h12 h ALA 156 Ca 0.15 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1h12 h ALA 156 Cb 0.62 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 1h12 h ALA 156 CO 0.04 0.15 0.06 1.03 0.00 0.00 0.00 179.25 180.53 1h12 h SER 157 N 0.64 -0.04 -0.64 0.00 0.87 -1.03 0.50 113.55 113.84 1h12 h SER 157 Ca 0.17 0.08 -0.07 0.00 -1.23 0.00 0.00 61.79 60.74 1h12 h SER 157 Cb 0.06 0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 1h12 h SER 157 CO -0.03 0.01 0.15 0.00 -0.53 0.00 0.00 176.83 176.44 1h12 h ALA 158 N 1.32 1.01 0.18 6.23 0.00 -0.84 -0.59 119.26 126.58 1h12 h ALA 158 Ca 0.20 -0.24 -0.31 0.00 0.00 0.00 0.00 54.91 54.55 1h12 h ALA 158 Cb 0.26 -0.26 0.02 0.00 0.00 0.00 0.00 17.79 17.80 1h12 h ALA 158 CO -0.28 0.64 -1.45 0.00 0.00 0.00 0.00 179.25 178.16 1h12 h ARG 159 N 1.00 0.39 0.00 0.00 3.08 -0.88 -3.41 114.38 114.56 1h12 h ARG 159 Ca 0.21 -0.67 0.00 0.00 0.07 0.00 0.00 59.98 59.59 1h12 h ARG 159 Cb 0.37 0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1h12 h ARG 159 CO 0.00 1.30 -0.61 0.91 -1.07 0.00 0.00 179.97 180.50 1h12 n TRP 160 N -3.60 0.00 -0.33 3.04 8.01 0.14 -5.10 117.44 119.61 1h12 n TRP 160 Ca -0.15 0.00 0.05 0.00 -1.31 0.00 0.00 57.50 56.08 1h12 n TRP 160 Cb 1.07 -0.04 -0.01 0.00 -2.01 0.00 0.00 31.31 30.32 1h12 n TRP 160 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1h12 n GLY 161 N 1.61 -1.43 0.23 6.99 0.00 -0.23 -4.76 105.19 107.61 1h12 n GLY 161 Ca 0.00 -1.45 0.08 0.00 0.00 0.00 0.00 46.02 44.65 1h12 n GLY 161 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1h12 n ASN 162 N -1.78 1.99 -0.70 1.61 3.02 -1.26 -4.66 115.26 113.48 1h12 n ASN 162 Ca 0.00 -3.10 0.06 0.00 -0.03 0.00 0.00 54.58 51.52 1h12 n ASN 162 Cb 0.15 -0.42 0.16 0.00 -0.61 0.00 0.00 39.78 39.06 1h12 n ASN 162 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1h12 n SER 163 N -1.21 2.97 -0.92 6.41 3.41 -1.26 -4.19 113.62 118.84 1h12 n SER 163 Ca 0.15 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.79 1h12 n SER 163 Cb 0.67 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1h12 n SER 163 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1h12 n GLY 164 N 0.63 1.40 0.29 5.00 0.00 -1.26 -4.94 105.19 106.31 1h12 n GLY 164 Ca 0.13 -1.63 0.03 0.00 0.00 0.00 0.00 46.02 44.55 1h12 n GLY 164 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1h12 h GLU 165 N 0.00 0.65 -6.49 1.61 4.81 -1.97 -3.42 114.58 109.77 1h12 h GLU 165 Ca 0.00 -0.04 -0.69 0.00 -0.13 0.00 0.00 59.36 58.50 1h12 h GLU 165 Cb 0.00 -0.15 -0.23 0.00 0.63 0.00 0.00 28.75 29.00 1h12 h GLU 165 CO 0.00 0.43 -0.80 -0.06 -0.73 0.00 0.00 179.01 177.85 1h12 s PHE 166 N -6.03 2.58 -1.09 0.92 0.08 -1.26 -5.04 117.98 108.15 1h12 s PHE 166 Ca -0.12 -0.24 -0.16 0.00 0.12 0.00 0.00 56.93 56.53 1h12 s PHE 166 Cb 0.19 -1.53 0.15 0.00 -0.57 0.00 0.00 43.02 41.27 1h12 s PHE 166 CO 0.77 0.19 1.30 1.21 -0.10 0.00 0.00 175.22 178.59 1h12 s ASN 167 N -1.07 6.89 0.26 1.36 3.84 -1.26 -4.33 114.94 120.62 1h12 s ASN 167 Ca 0.13 -2.60 -0.02 0.00 0.21 0.00 0.00 52.86 50.58 1h12 s ASN 167 Cb -0.10 -2.40 0.47 0.00 -0.55 0.00 0.00 41.25 38.67 1h12 s ASN 167 CO 0.03 -0.88 1.79 1.88 -2.79 0.00 0.00 177.10 177.13 1h12 h TYR 168 N 7.86 0.85 -0.07 0.43 0.05 -1.84 -1.32 116.97 122.93 1h12 h TYR 168 Ca 0.25 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 59.06 1h12 h TYR 168 Cb 0.94 -0.25 -0.00 0.00 1.01 0.00 0.00 36.73 38.42 1h12 h TYR 168 CO 1.13 0.29 0.03 -0.92 -1.05 0.00 0.00 178.16 177.64 1h12 h TYR 169 N 0.74 0.10 -0.92 4.88 3.20 -1.89 0.16 116.97 123.23 1h12 h TYR 169 Ca 0.44 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.29 1h12 h TYR 169 Cb 0.50 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.70 1h12 h TYR 169 CO -0.07 0.21 0.54 -0.91 -1.64 0.00 0.00 178.16 176.29 1h12 h ASN 170 N -0.04 1.13 -0.79 -2.11 4.21 -1.89 -0.67 115.58 115.42 1h12 h ASN 170 Ca 0.02 -0.08 -0.02 0.00 1.21 0.00 0.00 56.30 57.43 1h12 h ASN 170 Cb 0.15 -0.29 -0.04 0.00 -1.12 0.00 0.00 38.32 37.03 1h12 h ASN 170 CO -0.00 0.88 0.41 0.44 -1.29 0.00 0.00 177.43 177.87 1h12 h ASP 171 N 1.28 1.02 -0.38 5.81 3.32 -0.94 -1.35 116.42 125.18 1h12 h ASP 171 Ca 0.33 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 57.20 1h12 h ASP 171 Cb -0.02 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 1h12 h ASP 171 CO -0.06 0.84 -0.04 0.00 -1.72 0.00 0.00 179.24 178.26 1h12 h ALA 172 N 1.32 0.52 -0.54 3.45 0.00 0.09 -1.30 119.26 122.79 1h12 h ALA 172 Ca 0.28 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1h12 h ALA 172 Cb 0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1h12 h ALA 172 CO -0.04 0.33 0.00 0.82 0.00 0.00 0.00 179.25 180.36 1h12 h ILE 173 N 0.51 1.25 -0.48 0.00 1.08 -0.98 0.25 117.51 119.14 1h12 h ILE 173 Ca 0.10 -1.08 0.02 0.00 -0.39 0.00 0.00 64.86 63.52 1h12 h ILE 173 Cb 0.53 0.84 -0.03 0.00 -3.07 0.00 0.00 36.82 35.09 1h12 h ILE 173 CO 0.03 0.39 0.29 0.74 -0.69 0.00 0.00 178.15 178.90 1h12 h THR 174 N 0.85 1.06 -0.52 -0.27 2.02 -1.14 -0.54 112.91 114.38 1h12 h THR 174 Ca 0.16 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1h12 h THR 174 Cb 0.50 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 1h12 h THR 174 CO 0.02 0.11 0.29 -0.03 0.37 0.00 0.00 175.52 176.28 1h12 h MET 175 N 0.59 0.72 -0.80 6.66 1.85 -0.65 -0.67 114.93 122.63 1h12 h MET 175 Ca 0.19 -0.08 0.00 0.00 -0.61 0.00 0.00 59.70 59.20 1h12 h MET 175 Cb 0.00 -0.14 -0.04 0.00 0.43 0.00 0.00 31.60 31.85 1h12 h MET 175 CO -0.08 0.55 0.51 -0.07 -0.40 0.00 0.00 176.91 177.42 1h12 h LEU 176 N 0.69 0.94 -0.91 3.39 3.38 -0.68 -0.30 115.31 121.82 1h12 h LEU 176 Ca 0.18 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 1h12 h LEU 176 Cb 0.04 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1h12 h LEU 176 CO -0.03 0.70 0.03 -1.13 0.09 0.00 0.00 178.44 178.10 1h12 h ASN 177 N 1.09 0.80 -0.50 -0.43 -1.24 -0.75 -0.71 115.58 113.84 1h12 h ASN 177 Ca 0.29 -0.18 0.00 0.00 0.71 0.00 0.00 56.30 57.12 1h12 h ASN 177 Cb -0.09 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 38.73 1h12 h ASN 177 CO -0.06 0.84 0.33 0.74 -1.29 0.00 0.00 177.43 177.99 1h12 h THR 178 N 0.78 1.13 0.04 -3.57 2.02 -0.58 0.51 112.91 113.24 1h12 h THR 178 Ca 0.16 -0.25 0.01 0.00 0.77 0.00 0.00 66.41 67.09 1h12 h THR 178 Cb 0.43 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1h12 h THR 178 CO 0.02 0.13 -0.09 0.40 0.37 0.00 0.00 175.52 176.35 1h12 h ILE 179 N 0.68 0.78 -0.59 3.11 2.04 -0.63 0.48 117.51 123.37 1h12 h ILE 179 Ca 0.18 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.07 1h12 h ILE 179 Cb -0.07 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 1h12 h ILE 179 CO -0.04 0.00 0.37 0.50 0.00 0.00 0.00 178.15 178.98 1h12 h LYS 180 N -0.17 0.70 0.00 2.37 3.64 -0.92 0.11 116.57 122.30 1h12 h LYS 180 Ca 0.02 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.24 1h12 h LYS 180 Cb 0.19 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1h12 h LYS 180 CO -0.06 0.47 -0.88 -0.91 -2.27 0.00 0.00 179.45 175.79 1h12 h ASN 181 N 0.72 0.00 0.00 4.20 2.35 -0.72 -3.39 115.58 118.75 1h12 h ASN 181 Ca 0.24 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.98 1h12 h ASN 181 Cb 0.01 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 1h12 h ASN 181 CO -0.09 0.47 -1.06 0.29 -1.65 0.00 0.00 177.43 175.38 1h12 n LYS 182 N -3.04 1.63 -0.09 0.81 4.76 0.14 -4.86 118.16 117.52 1h12 n LYS 182 Ca -0.03 -0.01 0.06 0.00 -2.87 0.00 0.00 58.31 55.46 1h12 n LYS 182 Cb 0.75 -1.03 0.08 0.00 -1.84 0.00 0.00 35.03 32.99 1h12 n LYS 182 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1h12 n LEU 183 N -1.75 1.90 -4.23 -0.35 4.77 0.01 -4.61 117.00 112.73 1h12 n LEU 183 Ca -0.01 -2.41 -0.24 0.00 -0.03 0.00 0.00 56.01 53.32 1h12 n LEU 183 Cb 0.24 -0.24 -0.14 0.00 -2.33 0.00 0.00 43.42 40.96 1h12 n LEU 183 CO 0.02 0.57 -0.51 -0.04 -1.33 0.00 0.00 177.39 176.10 1h12 s MET 184 N -1.90 1.28 -0.11 3.23 -1.94 -1.10 -0.59 119.30 118.17 1h12 s MET 184 Ca 0.18 -0.92 -0.00 0.00 -1.71 0.00 0.00 55.69 53.23 1h12 s MET 184 Cb 0.16 -1.39 0.02 0.00 2.01 0.00 0.00 34.83 35.63 1h12 s MET 184 CO 0.02 0.35 -0.07 -2.00 -0.01 0.00 0.00 175.02 173.31 1h12 s GLU 185 N -1.22 1.43 -1.58 2.03 2.12 -0.34 -4.83 118.70 116.31 1h12 s GLU 185 Ca 0.06 -0.22 -0.15 0.00 0.36 0.00 0.00 54.97 55.02 1h12 s GLU 185 Cb -0.09 -1.52 0.11 0.00 0.26 0.00 0.00 34.13 32.89 1h12 s GLU 185 CO 0.02 -0.27 0.93 0.09 -0.54 0.00 0.00 175.26 175.49 1h12 n ASN 186 N 4.95 -4.40 -0.97 -1.70 3.02 -1.26 -1.26 115.26 113.64 1h12 n ASN 186 Ca -0.12 -0.84 -0.12 0.00 -0.03 0.00 0.00 54.58 53.46 1h12 n ASN 186 Cb 0.50 -3.57 -0.05 0.00 -0.61 0.00 0.00 39.78 36.05 1h12 n ASN 186 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1h12 n GLN 187 N -4.60 -0.87 -5.21 3.52 6.02 -1.26 -5.00 117.38 109.98 1h12 n GLN 187 Ca 0.05 0.93 -0.32 0.00 -0.01 0.00 0.00 57.00 57.66 1h12 n GLN 187 Cb 0.52 -4.96 -0.17 0.00 1.02 0.00 0.00 30.24 26.64 1h12 n GLN 187 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1h12 s ILE 188 N -2.47 2.04 0.25 5.09 1.01 -0.39 -4.61 121.20 122.13 1h12 s ILE 188 Ca 0.00 -1.01 -0.31 0.00 0.00 0.00 0.00 60.65 59.32 1h12 s ILE 188 Cb 0.00 -1.76 -0.13 0.00 0.01 0.00 0.00 42.46 40.59 1h12 s ILE 188 CO 0.00 0.56 1.53 0.00 0.00 0.00 0.00 174.94 177.03 1h12 n ILE 189 N 3.45 0.79 -2.81 2.92 0.13 -1.26 -1.19 119.36 121.38 1h12 n ILE 189 Ca -0.19 -0.20 -0.34 0.00 -1.10 0.00 0.00 62.75 60.93 1h12 n ILE 189 Cb 0.53 -1.73 -0.07 0.00 -0.84 0.00 0.00 39.64 37.53 1h12 n ILE 189 CO 0.00 0.00 0.00 -0.13 2.80 0.00 0.00 176.55 179.22 1h12 s ARG 190 N -0.16 4.31 0.11 9.51 0.52 0.24 -4.52 118.95 128.96 1h12 s ARG 190 Ca 0.68 1.16 -0.11 0.00 -0.52 0.00 0.00 55.73 56.94 1h12 s ARG 190 Cb -0.58 -2.32 -0.13 0.00 0.52 0.00 0.00 34.95 32.44 1h12 s ARG 190 CO 0.46 0.04 1.31 0.35 0.02 0.00 0.00 175.30 177.48 1h12 h PHE 191 N 2.19 1.01 -3.13 -0.53 3.57 -1.79 -3.42 116.94 114.85 1h12 h PHE 191 Ca -0.48 -0.46 -0.16 0.00 3.53 0.00 0.00 57.97 60.40 1h12 h PHE 191 Cb 1.18 -0.15 -0.25 0.00 2.79 0.00 0.00 35.95 39.52 1h12 h PHE 191 CO 0.62 1.28 -0.42 0.45 -2.23 0.00 0.00 178.31 178.01 1h12 s SER 192 N -7.11 -0.26 0.63 0.41 0.15 -1.26 -4.65 113.70 101.61 1h12 s SER 192 Ca -0.10 0.49 0.34 0.00 0.70 0.00 0.00 55.95 57.38 1h12 s SER 192 Cb 0.09 0.51 1.91 0.00 -1.71 0.00 0.00 66.02 66.82 1h12 s SER 192 CO 0.90 -0.10 2.17 -0.65 1.20 0.00 0.00 173.24 176.76 1h12 h PRO 193 N 5.70 0.00 -0.03 5.44 0.11 -1.92 -3.05 132.00 138.25 1h12 h PRO 193 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1h12 h PRO 193 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1h12 h PRO 193 CO 0.35 0.00 -0.11 0.66 -0.21 0.00 0.00 178.00 178.69 1h12 n TYR 194 N -3.40 0.00 -4.17 0.65 4.01 -1.26 -4.88 117.16 108.10 1h12 n TYR 194 Ca -0.01 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.52 1h12 n TYR 194 Cb 0.23 -0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.10 1h12 n TYR 194 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1h12 s ILE 195 N -2.11 0.62 0.40 -0.72 1.01 -1.15 -5.15 121.20 114.09 1h12 s ILE 195 Ca 0.26 -0.15 0.05 0.00 0.00 0.00 0.00 60.65 60.80 1h12 s ILE 195 Cb 0.20 -0.64 0.00 0.00 0.01 0.00 0.00 42.46 42.03 1h12 s ILE 195 CO 0.36 0.25 0.57 -1.81 0.00 0.00 0.00 174.94 174.31 1h12 s ASP 196 N 1.00 5.81 -1.36 3.58 1.01 -1.26 -4.51 116.67 120.94 1h12 s ASP 196 Ca -0.10 -0.09 -0.05 0.00 0.71 0.00 0.00 52.55 53.03 1h12 s ASP 196 Cb -0.14 -1.18 0.02 0.00 1.01 0.00 0.00 42.92 42.63 1h12 s ASP 196 CO -0.00 -0.63 0.87 -3.20 0.21 0.00 0.00 175.17 172.42 1h12 n ASN 197 N -1.86 -2.85 -3.68 0.27 5.15 -1.26 -4.98 115.26 106.05 1h12 n ASN 197 Ca 0.02 -0.75 -0.12 0.00 -0.60 0.00 0.00 54.58 53.14 1h12 n ASN 197 Cb 0.58 -4.26 -0.12 0.00 -0.53 0.00 0.00 39.78 35.45 1h12 n ASN 197 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1h12 s LEU 198 N -6.87 -0.21 0.32 1.20 2.96 -1.26 -4.25 118.68 110.57 1h12 s LEU 198 Ca 0.25 0.73 0.03 0.00 -0.22 0.00 0.00 54.13 54.91 1h12 s LEU 198 Cb -0.12 0.97 -0.05 0.00 0.50 0.00 0.00 46.19 47.49 1h12 s LEU 198 CO 0.80 -0.22 0.10 0.28 -1.32 0.00 0.00 176.35 175.99 1h12 s THR 199 N 2.07 0.79 -0.25 3.68 -1.32 -0.04 -2.47 115.64 118.11 1h12 s THR 199 Ca -0.03 -2.00 0.01 0.00 -1.21 0.00 0.00 61.69 58.46 1h12 s THR 199 Cb -0.11 -2.62 0.06 0.00 -1.51 0.00 0.00 72.50 68.32 1h12 s THR 199 CO -0.10 0.00 -0.05 -0.62 -2.21 0.00 0.00 174.62 171.63 1h12 s ASP 200 N -3.46 3.99 0.35 8.08 -1.08 -1.26 -1.42 116.67 121.87 1h12 s ASP 200 Ca 0.34 -1.27 0.15 0.00 -0.52 0.00 0.00 52.55 51.25 1h12 s ASP 200 Cb 0.07 -1.25 1.06 0.00 -1.46 0.00 0.00 42.92 41.34 1h12 s ASP 200 CO 0.15 -0.24 1.69 -0.65 0.52 0.00 0.00 175.17 176.64 1h12 h PRO 201 N 7.91 0.37 0.00 4.34 0.11 -1.76 0.53 132.00 143.50 1h12 h PRO 201 Ca -0.17 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1h12 h PRO 201 Cb 1.06 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1h12 h PRO 201 CO 0.43 0.24 0.00 0.66 -0.21 0.00 0.00 178.00 179.12 1h12 h SER 202 N 0.38 0.00 0.94 -2.05 4.64 -1.84 -1.62 113.55 114.00 1h12 h SER 202 Ca 0.71 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.03 1h12 h SER 202 Cb 1.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.70 1h12 h SER 202 CO -0.54 0.00 -0.11 -1.22 -0.87 0.00 0.00 176.83 174.10 1h12 n TYR 203 N -2.48 0.07 -2.89 4.77 4.02 0.18 -4.79 117.16 116.04 1h12 n TYR 203 Ca -0.01 0.02 -0.43 0.00 -0.01 0.00 0.00 57.90 57.47 1h12 n TYR 203 Cb 0.08 -0.49 -0.05 0.00 -0.02 0.00 0.00 39.34 38.87 1h12 n TYR 203 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 1h12 s HIS 204 N -3.01 2.97 -0.52 -0.72 3.76 -0.61 -4.88 115.29 112.27 1h12 s HIS 204 Ca 0.13 0.32 0.03 0.00 -0.15 0.00 0.00 55.06 55.40 1h12 s HIS 204 Cb 0.18 -3.80 0.15 0.00 1.11 0.00 0.00 32.58 30.23 1h12 s HIS 204 CO 0.57 -1.02 0.34 0.42 -0.85 0.00 0.00 174.74 174.20 1h12 s ILE 205 N 3.52 1.72 0.29 0.60 1.01 -1.26 -4.85 121.20 122.23 1h12 s ILE 205 Ca 0.34 -3.15 -0.02 0.00 0.00 0.00 0.00 60.65 57.81 1h12 s ILE 205 Cb -0.11 -2.17 0.27 0.00 0.01 0.00 0.00 42.46 40.45 1h12 s ILE 205 CO 0.24 -0.99 1.95 -0.65 0.00 0.00 0.00 174.94 175.49 1h12 h PRO 206 N 6.08 1.11 -0.30 2.79 0.11 -1.89 -1.01 132.00 138.89 1h12 h PRO 206 Ca 0.09 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.12 1h12 h PRO 206 Cb 0.87 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.71 1h12 h PRO 206 CO 0.55 0.73 0.11 0.00 -0.21 0.00 0.00 178.00 179.18 1h12 h ALA 207 N 1.47 1.64 -0.92 -0.75 0.00 -1.93 -0.70 119.26 118.06 1h12 h ALA 207 Ca 0.33 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.20 1h12 h ALA 207 Cb -0.06 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.55 1h12 h ALA 207 CO -0.09 0.29 0.59 0.74 0.00 0.00 0.00 179.25 180.78 1h12 h PHE 208 N 0.42 1.10 -0.43 0.00 -1.00 -1.62 -1.25 116.94 114.16 1h12 h PHE 208 Ca 0.10 0.03 -0.11 0.00 2.81 0.00 0.00 57.97 60.81 1h12 h PHE 208 Cb 0.10 -0.36 -0.02 0.00 3.61 0.00 0.00 35.95 39.28 1h12 h PHE 208 CO 0.00 0.59 -0.16 1.88 -1.61 0.00 0.00 178.31 179.01 1h12 h TYR 209 N 1.11 0.91 -0.66 -0.55 0.05 -1.16 0.98 116.97 117.65 1h12 h TYR 209 Ca 0.38 -0.19 -0.05 0.00 0.05 0.00 0.00 58.73 58.92 1h12 h TYR 209 Cb 0.09 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.58 1h12 h TYR 209 CO -0.02 0.92 0.21 -0.44 -1.05 0.00 0.00 178.16 177.78 1h12 h ASP 210 N 0.72 0.94 -0.49 3.88 3.32 -1.18 -0.78 116.42 122.83 1h12 h ASP 210 Ca 0.11 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 1h12 h ASP 210 Cb 0.67 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 1h12 h ASP 210 CO 0.05 0.87 0.12 0.22 -1.72 0.00 0.00 179.24 178.78 1h12 h TYR 211 N 0.97 0.81 -0.48 4.55 3.20 -0.75 -2.56 116.97 122.71 1h12 h TYR 211 Ca 0.22 -0.10 0.04 0.00 3.14 0.00 0.00 58.73 62.03 1h12 h TYR 211 Cb 0.27 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.27 1h12 h TYR 211 CO 0.02 0.73 0.24 0.74 -1.64 0.00 0.00 178.16 178.25 1h12 h PHE 212 N 0.66 0.44 -0.95 -3.82 0.04 -0.49 -2.19 116.94 110.64 1h12 h PHE 212 Ca 0.15 0.02 0.10 0.00 2.80 0.00 0.00 57.97 61.04 1h12 h PHE 212 Cb 0.32 -0.13 -0.07 0.00 2.20 0.00 0.00 35.95 38.28 1h12 h PHE 212 CO 0.02 0.22 0.61 0.00 -0.60 0.00 0.00 178.31 178.55 1h12 h ALA 213 N 1.26 1.56 0.00 2.45 0.00 -0.92 -0.80 119.26 122.81 1h12 h ALA 213 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1h12 h ALA 213 Cb 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1h12 h ALA 213 CO -0.15 0.24 0.00 0.09 0.00 0.00 0.00 179.25 179.43 1h12 n ASN 214 N -4.55 0.00 0.00 0.00 3.02 -0.86 -3.78 115.26 109.10 1h12 n ASN 214 Ca 0.16 -0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 1h12 n ASN 214 Cb 0.30 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 1h12 n ASN 214 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1h12 n ASN 215 N -1.23 1.61 -4.98 6.41 3.02 -0.35 -4.86 115.26 114.87 1h12 n ASN 215 Ca 0.16 -1.64 -0.20 0.00 -0.03 0.00 0.00 54.58 52.87 1h12 n ASN 215 Cb 0.22 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.40 1h12 n ASN 215 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1h12 s VAL 216 N -0.64 3.32 -0.19 2.41 -7.23 -0.96 -5.01 120.40 112.09 1h12 s VAL 216 Ca 0.00 -0.80 0.15 0.00 -1.81 0.00 0.00 61.98 59.51 1h12 s VAL 216 Cb 0.00 -3.18 0.44 0.00 0.56 0.00 0.00 36.38 34.20 1h12 s VAL 216 CO 0.00 -0.10 1.19 0.35 -0.31 0.00 0.00 175.10 176.23 1h12 n THR 217 N -2.00 1.72 -3.95 5.32 -2.24 -1.26 -4.89 114.28 106.98 1h12 n THR 217 Ca 0.05 -2.99 -0.10 0.00 -2.27 0.00 0.00 64.05 58.75 1h12 n THR 217 Cb 0.59 -0.02 -0.11 0.00 -2.10 0.00 0.00 70.33 68.68 1h12 n THR 217 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1h12 s ASN 218 N -3.14 0.17 0.20 3.42 2.20 -1.26 -5.07 114.94 111.47 1h12 s ASN 218 Ca 0.39 -0.38 -0.09 0.00 -0.94 0.00 0.00 52.86 51.84 1h12 s ASN 218 Cb 0.38 0.11 0.14 0.00 -2.00 0.00 0.00 41.25 39.88 1h12 s ASN 218 CO -0.06 -0.27 1.80 -0.61 -2.94 0.00 0.00 177.10 175.02 1h12 h GLN 219 N 4.80 1.08 -0.46 3.55 4.15 -1.99 -1.62 115.11 124.61 1h12 h GLN 219 Ca -0.31 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 58.96 1h12 h GLN 219 Cb 1.21 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 28.68 1h12 h GLN 219 CO 0.42 0.83 0.29 0.00 -1.93 0.00 0.00 178.83 178.44 1h12 h ALA 220 N 1.19 0.58 -0.20 3.38 0.00 -1.99 -1.53 119.26 120.69 1h12 h ALA 220 Ca 0.26 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 1h12 h ALA 220 Cb 0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1h12 h ALA 220 CO -0.03 0.06 -0.37 -0.44 0.00 0.00 0.00 179.25 178.46 1h12 h ASP 221 N 0.61 0.46 -0.13 0.00 3.32 -1.92 -0.28 116.42 118.48 1h12 h ASP 221 Ca 0.17 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 57.04 1h12 h ASP 221 Cb -0.03 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1h12 h ASP 221 CO -0.03 0.79 0.04 0.50 -1.72 0.00 0.00 179.24 178.82 1h12 h LYS 222 N 0.37 0.11 -0.76 3.56 3.64 -0.95 -1.77 116.57 120.77 1h12 h LYS 222 Ca 0.04 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 1h12 h LYS 222 Cb 0.82 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.58 1h12 h LYS 222 CO 0.07 0.07 0.30 -0.91 -2.27 0.00 0.00 179.45 176.71 1h12 h ASN 223 N 0.11 1.05 -0.08 4.20 4.21 -1.08 -2.00 115.58 121.98 1h12 h ASN 223 Ca 0.06 -0.16 0.04 0.00 1.21 0.00 0.00 56.30 57.44 1h12 h ASN 223 Cb 0.03 -0.27 -0.04 0.00 -1.12 0.00 0.00 38.32 36.92 1h12 h ASN 223 CO -0.06 0.93 -0.15 0.22 -1.29 0.00 0.00 177.43 177.08 1h12 h TYR 224 N 1.11 -0.39 -0.09 1.19 3.20 -0.75 -0.99 116.97 120.24 1h12 h TYR 224 Ca 0.26 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 62.01 1h12 h TYR 224 Cb 0.21 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 1h12 h TYR 224 CO 0.02 -0.22 -0.52 -1.49 -1.64 0.00 0.00 178.16 174.30 1h12 h TRP 225 N -0.21 0.32 -0.69 -3.82 4.06 -1.21 -0.74 115.95 113.66 1h12 h TRP 225 Ca 0.08 -0.11 -0.04 0.00 2.06 0.00 0.00 58.89 60.88 1h12 h TRP 225 Cb 0.32 -0.06 -0.03 0.00 -1.00 0.00 0.00 29.16 28.39 1h12 h TRP 225 CO -0.25 0.73 0.26 0.00 -3.56 0.00 0.00 178.44 175.62 1h12 h ARG 226 N 0.20 1.03 -0.50 0.49 3.08 -1.07 -1.06 114.38 116.55 1h12 h ARG 226 Ca 0.00 -0.18 -0.12 0.00 0.07 0.00 0.00 59.98 59.75 1h12 h ARG 226 Cb 0.99 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.86 1h12 h ARG 226 CO 0.08 0.85 -0.16 1.96 -1.07 0.00 0.00 179.97 181.63 1h12 h GLN 227 N 1.00 0.99 -0.69 0.04 4.20 -0.68 -1.91 115.11 118.06 1h12 h GLN 227 Ca 0.23 -0.39 0.03 0.00 0.06 0.00 0.00 58.65 58.58 1h12 h GLN 227 Cb 0.22 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.91 1h12 h GLN 227 CO -0.02 1.07 0.43 0.28 -0.67 0.00 0.00 178.83 179.92 1h12 h VAL 228 N 0.87 1.10 -0.24 -0.54 2.07 -0.85 -0.42 116.25 118.24 1h12 h VAL 228 Ca 0.12 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.38 1h12 h VAL 228 Cb 0.73 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1h12 h VAL 228 CO 0.06 0.16 0.07 0.00 0.02 0.00 0.00 177.57 177.87 1h12 h ALA 229 N 1.29 0.26 -0.56 1.67 0.00 -0.82 0.51 119.26 121.62 1h12 h ALA 229 Ca 0.27 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 1h12 h ALA 229 Cb 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1h12 h ALA 229 CO -0.10 -0.34 0.19 1.15 0.00 0.00 0.00 179.25 180.14 1h12 h THR 230 N 0.18 1.23 0.00 0.00 2.02 -1.06 -1.64 112.91 113.64 1h12 h THR 230 Ca 0.11 -0.77 -0.08 0.00 0.77 0.00 0.00 66.41 66.44 1h12 h THR 230 Cb 0.09 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1h12 h THR 230 CO -0.12 0.29 -0.37 0.11 0.37 0.00 0.00 175.52 175.79 1h12 h LYS 231 N 0.77 0.00 -0.17 6.66 1.57 -0.85 -1.31 116.57 123.25 1h12 h LYS 231 Ca 0.18 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.85 1h12 h LYS 231 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1h12 h LYS 231 CO -0.01 0.37 -0.34 1.03 -0.57 0.00 0.00 179.45 179.94 1h12 h SER 232 N 0.00 0.59 -0.97 0.86 0.87 -0.45 -0.09 113.55 114.35 1h12 h SER 232 Ca -0.00 -0.56 -0.00 0.00 -1.23 0.00 0.00 61.79 60.00 1h12 h SER 232 Cb 0.68 -0.17 -0.05 0.00 -0.44 0.00 0.00 62.40 62.42 1h12 h SER 232 CO 0.05 1.03 0.60 0.03 -0.53 0.00 0.00 176.83 178.01 1h12 h ARG 233 N 0.16 1.30 -0.51 2.24 3.08 -1.11 -0.51 114.38 119.03 1h12 h ARG 233 Ca 0.00 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 1h12 h ARG 233 Cb 0.94 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 1h12 h ARG 233 CO 0.08 0.90 0.20 1.15 -1.07 0.00 0.00 179.97 181.23 1h12 h THR 234 N 1.33 1.21 -0.13 2.04 2.02 -1.07 0.87 112.91 119.18 1h12 h THR 234 Ca 0.35 -0.67 0.01 0.00 0.77 0.00 0.00 66.41 66.87 1h12 h THR 234 Cb -0.08 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1h12 h THR 234 CO -0.07 0.25 0.07 0.25 0.37 0.00 0.00 175.52 176.39 1h12 h LEU 235 N 0.69 0.11 -0.48 2.58 7.12 -0.64 0.50 115.31 125.19 1h12 h LEU 235 Ca 0.17 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 58.16 1h12 h LEU 235 Cb 0.20 -0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 40.29 1h12 h LEU 235 CO -0.01 0.08 0.20 -0.07 -0.13 0.00 0.00 178.44 178.51 1h12 h LEU 236 N 0.15 0.66 -0.46 2.25 3.38 -0.93 0.16 115.31 120.50 1h12 h LEU 236 Ca 0.05 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 57.90 1h12 h LEU 236 Cb -0.00 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 1h12 h LEU 236 CO -0.03 0.64 0.22 0.11 0.09 0.00 0.00 178.44 179.47 1h12 h LYS 237 N 0.63 0.43 -0.50 1.13 1.57 -0.62 -0.04 116.57 119.17 1h12 h LYS 237 Ca 0.16 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1h12 h LYS 237 Cb 0.18 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1h12 h LYS 237 CO -0.01 0.28 0.20 -0.91 -0.57 0.00 0.00 179.45 178.44 1h12 h ASN 238 N 0.44 0.69 -0.43 0.86 2.35 -0.63 -1.21 115.58 117.64 1h12 h ASN 238 Ca 0.20 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1h12 h ASN 238 Cb 0.12 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 1h12 h ASN 238 CO -0.15 0.67 0.28 -0.74 -1.65 0.00 0.00 177.43 175.83 1h12 h HIS 239 N 0.66 0.54 -0.36 1.19 2.76 -0.32 -0.92 115.15 118.71 1h12 h HIS 239 Ca 0.17 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.29 1h12 h HIS 239 Cb 0.19 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 28.95 1h12 h HIS 239 CO 0.00 0.35 0.00 0.74 -1.30 0.00 0.00 177.93 177.72 1h12 h PHE 240 N 0.58 0.58 -0.36 5.26 0.04 -0.83 0.04 116.94 122.24 1h12 h PHE 240 Ca 0.16 -0.06 -0.02 0.00 2.80 0.00 0.00 57.97 60.85 1h12 h PHE 240 Cb -0.06 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 37.91 1h12 h PHE 240 CO -0.04 0.56 0.17 1.15 -0.60 0.00 0.00 178.31 179.55 1h12 h THR 241 N 0.53 1.17 0.00 -1.55 2.02 -0.87 -2.43 112.91 111.79 1h12 h THR 241 Ca 0.11 -0.50 -0.09 0.00 0.77 0.00 0.00 66.41 66.70 1h12 h THR 241 Cb 0.34 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 1h12 h THR 241 CO 0.01 0.18 -0.44 0.11 0.37 0.00 0.00 175.52 175.76 1h12 h LYS 242 N 0.45 0.00 -0.01 6.66 1.79 -0.48 -2.72 116.57 122.25 1h12 h LYS 242 Ca 0.12 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 1h12 h LYS 242 Cb 0.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 1h12 h LYS 242 CO -0.01 0.44 -0.14 1.33 -1.08 0.00 0.00 179.45 179.98 1h12 n VAL 243 N -4.02 0.00 -2.24 0.50 0.24 -0.06 -4.79 118.33 107.97 1h12 n VAL 243 Ca -0.02 -0.19 -0.41 0.00 -2.04 0.00 0.00 64.34 61.69 1h12 n VAL 243 Cb 0.46 0.48 -0.03 0.00 -1.47 0.00 0.00 33.84 33.29 1h12 n VAL 243 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1h12 s SER 244 N -2.27 6.94 0.91 -1.34 0.01 -0.92 0.04 113.70 117.06 1h12 s SER 244 Ca 0.30 2.54 0.00 0.00 1.31 0.00 0.00 55.95 60.10 1h12 s SER 244 Cb 0.20 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.79 1h12 s SER 244 CO 0.43 -0.41 0.00 0.61 0.41 0.00 0.00 173.24 174.28 1h12 n GLY 245 N 1.05 0.76 3.77 3.44 0.00 -1.26 -4.67 105.19 108.28 1h12 n GLY 245 Ca 0.00 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 44.78 1h12 n GLY 245 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1h12 s SER 246 N -4.00 6.64 0.00 1.61 0.15 -1.26 -0.00 113.70 116.84 1h12 s SER 246 Ca 0.00 2.66 0.23 0.00 0.70 0.00 0.00 55.95 59.54 1h12 s SER 246 Cb 0.00 -2.64 0.07 0.00 -1.71 0.00 0.00 66.02 61.73 1h12 s SER 246 CO 0.00 -0.62 1.15 -0.81 1.20 0.00 0.00 173.24 174.16 1h12 n PRO 247 N 0.59 1.55 0.04 5.44 -0.04 -1.26 -4.85 135.00 136.47 1h12 n PRO 247 Ca 0.01 -1.28 0.12 0.00 -0.04 0.00 0.00 63.50 62.31 1h12 n PRO 247 Cb 0.42 -1.47 0.15 0.00 -0.04 0.00 0.00 33.50 32.56 1h12 n PRO 247 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1h12 n HIS 248 N 0.39 0.41 -3.83 0.54 8.25 -0.99 -4.09 115.22 115.88 1h12 n HIS 248 Ca 0.11 0.12 -0.26 0.00 -0.26 0.00 0.00 57.72 57.43 1h12 n HIS 248 Cb 0.51 -0.55 0.02 0.00 1.12 0.00 0.00 29.99 31.09 1h12 n HIS 248 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 1h12 n TRP 249 N -1.98 -2.04 -0.99 4.41 7.02 0.99 -3.51 117.44 121.33 1h12 n TRP 249 Ca 0.03 0.86 0.00 0.00 -1.02 0.00 0.00 57.50 57.37 1h12 n TRP 249 Cb 0.42 -4.11 0.00 0.00 -2.42 0.00 0.00 31.31 25.20 1h12 n TRP 249 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1h12 n ASN 250 N -2.94 -2.34 -4.66 -0.99 3.02 0.11 -4.84 115.26 102.61 1h12 n ASN 250 Ca -0.15 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.05 1h12 n ASN 250 Cb 0.61 -0.53 -0.10 0.00 -0.61 0.00 0.00 39.78 39.16 1h12 n ASN 250 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1h12 s LEU 251 N 0.00 3.67 0.88 3.41 1.43 -1.23 -3.77 118.68 123.07 1h12 s LEU 251 Ca 0.00 0.12 -0.12 0.00 -1.03 0.00 0.00 54.13 53.10 1h12 s LEU 251 Cb 0.00 -1.88 0.12 0.00 0.03 0.00 0.00 46.19 44.46 1h12 s LEU 251 CO 0.00 0.29 1.10 -2.16 0.23 0.00 0.00 176.35 175.81 1h12 s PRO 252 N -0.36 1.36 0.36 1.29 0.04 -1.26 -4.89 135.00 131.54 1h12 s PRO 252 Ca 0.08 0.72 0.09 0.00 0.04 0.00 0.00 61.00 61.92 1h12 s PRO 252 Cb -0.12 -1.83 -0.06 0.00 0.04 0.00 0.00 34.50 32.53 1h12 s PRO 252 CO 0.02 -2.14 -0.03 0.95 0.04 0.00 0.00 177.00 175.84 1h12 s THR 253 N -3.01 2.29 0.12 1.26 -4.23 -1.26 -4.15 115.64 106.66 1h12 s THR 253 Ca 0.63 -2.08 -0.28 0.00 -1.18 0.00 0.00 61.69 58.79 1h12 s THR 253 Cb -0.17 -2.78 -0.08 0.00 1.34 0.00 0.00 72.50 70.82 1h12 s THR 253 CO 0.56 -0.15 1.62 0.15 -0.54 0.00 0.00 174.62 176.27 1h12 h PHE 254 N 1.88 -0.83 -3.93 3.99 3.57 -0.78 -3.39 116.94 117.45 1h12 h PHE 254 Ca -0.43 0.02 -0.56 0.00 3.53 0.00 0.00 57.97 60.54 1h12 h PHE 254 Cb 1.25 0.35 -0.22 0.00 2.79 0.00 0.00 35.95 40.12 1h12 h PHE 254 CO 0.74 -0.41 -0.83 -0.51 -2.23 0.00 0.00 178.31 175.07 1h12 s LEU 255 N -10.31 2.30 0.01 0.59 1.43 -0.66 -3.88 118.68 108.15 1h12 s LEU 255 Ca -0.16 -0.68 -0.06 0.00 -1.03 0.00 0.00 54.13 52.20 1h12 s LEU 255 Cb 0.08 -0.88 -0.00 0.00 0.03 0.00 0.00 46.19 45.41 1h12 s LEU 255 CO 0.65 0.06 0.10 -0.55 0.23 0.00 0.00 176.35 176.84 1h12 s SER 256 N -1.89 0.08 0.94 2.29 0.15 -0.51 -1.85 113.70 112.91 1h12 s SER 256 Ca 0.06 -0.29 -0.13 0.00 0.70 0.00 0.00 55.95 56.29 1h12 s SER 256 Cb -0.10 0.18 0.16 0.00 -1.71 0.00 0.00 66.02 64.55 1h12 s SER 256 CO 0.04 -0.37 1.15 -0.13 1.20 0.00 0.00 173.24 175.13 1h12 s ARG 257 N -1.48 0.89 0.17 5.44 1.81 0.31 -0.86 118.95 125.24 1h12 s ARG 257 Ca -0.15 0.23 0.22 0.00 -1.72 0.00 0.00 55.73 54.31 1h12 s ARG 257 Cb -0.08 -1.82 0.88 0.00 -0.45 0.00 0.00 34.95 33.49 1h12 s ARG 257 CO 0.01 -2.35 1.66 1.28 -0.68 0.00 0.00 175.30 175.22 1h12 n LEU 258 N -3.86 0.48 -0.49 2.53 4.77 -1.26 -1.32 117.00 117.84 1h12 n LEU 258 Ca 0.07 0.61 0.12 0.00 -0.03 0.00 0.00 56.01 56.78 1h12 n LEU 258 Cb 0.59 -0.53 0.47 0.00 -2.33 0.00 0.00 43.42 41.62 1h12 n LEU 258 CO 0.56 -0.42 0.83 -0.90 -1.33 0.00 0.00 177.39 176.13 1h12 n ASP 259 N -2.02 1.51 0.00 -1.43 5.75 -1.26 -4.88 116.55 114.22 1h12 n ASP 259 Ca 0.03 -1.58 0.00 0.00 -0.01 0.00 0.00 54.79 53.23 1h12 n ASP 259 Cb 0.24 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 1h12 n ASP 259 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1h12 n GLY 260 N 1.14 0.86 3.69 6.12 0.00 -0.44 -4.61 105.19 111.96 1h12 n GLY 260 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1h12 n GLY 260 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1h12 s SER 261 N -2.93 6.82 0.37 1.61 0.01 -1.26 -4.11 113.70 114.22 1h12 s SER 261 Ca 0.00 2.18 -0.26 0.00 1.31 0.00 0.00 55.95 59.19 1h12 s SER 261 Cb 0.00 -2.56 -0.12 0.00 0.21 0.00 0.00 66.02 63.55 1h12 s SER 261 CO 0.00 -0.73 1.03 -2.65 0.41 0.00 0.00 173.24 171.30 1h12 n PRO 262 N 5.21 1.42 -2.66 12.44 -0.02 -1.26 -0.53 135.00 149.59 1h12 n PRO 262 Ca 0.13 0.50 -0.42 0.00 -2.02 0.00 0.00 63.50 61.70 1h12 n PRO 262 Cb 0.43 -2.00 -0.03 0.00 -0.02 0.00 0.00 33.50 31.88 1h12 n PRO 262 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1h12 s VAL 263 N -1.19 4.70 -0.25 -1.45 1.01 -0.77 -4.77 120.40 117.68 1h12 s VAL 263 Ca 0.61 1.95 -0.12 0.00 0.00 0.00 0.00 61.98 64.42 1h12 s VAL 263 Cb -0.60 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 31.48 1h12 s VAL 263 CO 0.59 0.16 0.21 -0.63 0.00 0.00 0.00 175.10 175.43 1h12 s ILE 264 N 0.97 5.31 0.00 2.22 -1.09 -1.26 -0.93 121.20 126.43 1h12 s ILE 264 Ca 0.53 0.26 0.00 0.00 -2.23 0.00 0.00 60.65 59.21 1h12 s ILE 264 Cb -0.23 -3.55 0.00 0.00 -1.58 0.00 0.00 42.46 37.10 1h12 s ILE 264 CO 0.28 0.29 0.00 0.61 -1.23 0.00 0.00 174.94 174.89 1h12 n GLY 265 N 4.55 -0.29 3.82 6.18 0.00 -1.26 -4.80 105.19 113.39 1h12 n GLY 265 Ca -0.13 -1.05 -0.37 0.00 0.00 0.00 0.00 46.02 44.47 1h12 n GLY 265 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1h12 s TYR 266 N 0.00 3.72 0.00 1.61 2.02 -1.26 -1.19 117.35 122.25 1h12 s TYR 266 Ca 0.00 1.25 0.00 0.00 -0.37 0.00 0.00 57.07 57.95 1h12 s TYR 266 Cb 0.00 -2.49 0.00 0.00 -0.40 0.00 0.00 41.96 39.07 1h12 s TYR 266 CO 0.00 0.49 0.00 0.44 -1.57 0.00 0.00 175.55 174.91 1h12 n ILE 267 N 1.24 0.00 -3.72 2.71 -5.35 -1.26 -5.04 119.36 107.94 1h12 n ILE 267 Ca -0.07 -0.21 -0.14 0.00 -0.27 0.00 0.00 62.75 62.06 1h12 n ILE 267 Cb 0.51 0.95 -0.08 0.00 -1.74 0.00 0.00 39.64 39.28 1h12 n ILE 267 CO 0.00 0.00 0.00 0.72 -1.76 0.00 0.00 176.55 175.51 1h12 s PHE 268 N -0.47 -0.28 0.09 4.28 -0.12 -1.26 -5.11 117.98 115.11 1h12 s PHE 268 Ca 0.00 0.46 -0.31 0.00 -0.05 0.00 0.00 56.93 57.03 1h12 s PHE 268 Cb 0.00 0.15 -0.08 0.00 -0.63 0.00 0.00 43.02 42.46 1h12 s PHE 268 CO 0.00 -0.42 1.58 -0.80 -0.05 0.00 0.00 175.22 175.53 1h12 s ASN 269 N -1.23 6.65 0.00 1.98 0.02 -1.26 -2.16 114.94 118.94 1h12 s ASN 269 Ca -0.12 2.46 0.00 0.00 -1.02 0.00 0.00 52.86 54.17 1h12 s ASN 269 Cb -0.04 -2.57 0.00 0.00 0.02 0.00 0.00 41.25 38.66 1h12 s ASN 269 CO 0.05 -0.83 0.00 0.61 0.02 0.00 0.00 177.10 176.95 1h12 n GLY 270 N 3.86 0.28 3.73 0.66 0.00 -1.26 -5.07 105.19 107.40 1h12 n GLY 270 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1h12 n GLY 270 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1h12 s GLN 271 N -0.83 4.22 0.13 1.61 0.74 -0.92 -4.92 119.66 119.69 1h12 s GLN 271 Ca 0.00 2.36 0.02 0.00 0.05 0.00 0.00 55.36 57.80 1h12 s GLN 271 Cb 0.00 -3.12 -0.15 0.00 1.10 0.00 0.00 33.01 30.84 1h12 s GLN 271 CO 0.00 -0.54 1.28 0.00 -0.55 0.00 0.00 175.29 175.48 1h12 h ALA 272 N 5.91 0.35 -2.59 1.58 0.00 -1.97 -3.47 119.26 119.06 1h12 h ALA 272 Ca -0.44 -0.83 -0.08 0.00 0.00 0.00 0.00 54.91 53.56 1h12 h ALA 272 Cb 1.21 -0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.78 1h12 h ALA 272 CO 0.85 1.05 -0.27 -0.80 0.00 0.00 0.00 179.25 180.08 1h12 s ASN 273 N -6.91 -0.02 0.51 0.00 0.01 -1.26 -5.14 114.94 102.13 1h12 s ASN 273 Ca -0.02 -0.49 -0.22 0.00 -0.71 0.00 0.00 52.86 51.43 1h12 s ASN 273 Cb 0.09 0.38 -0.07 0.00 0.41 0.00 0.00 41.25 42.06 1h12 s ASN 273 CO 0.84 -0.75 1.09 -2.65 -1.51 0.00 0.00 177.10 174.12 1h12 n PRO 274 N -0.01 1.33 0.27 -0.60 -0.02 -1.26 -4.88 135.00 129.82 1h12 n PRO 274 Ca -0.16 0.49 0.13 0.00 -2.02 0.00 0.00 63.50 61.94 1h12 n PRO 274 Cb 0.62 -2.23 0.75 0.00 -0.02 0.00 0.00 33.50 32.62 1h12 n PRO 274 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1h12 h GLY 275 N 1.20 0.00 -1.10 -1.23 0.00 -1.24 -2.74 103.07 97.97 1h12 h GLY 275 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1h12 h GLY 275 CO 0.55 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.70 1h12 n GLN 276 N -3.66 1.92 -2.35 4.80 0.00 -0.11 -1.66 117.38 116.33 1h12 n GLN 276 Ca -0.02 -1.37 -0.41 0.00 0.00 0.00 0.00 57.00 55.21 1h12 n GLN 276 Cb 0.22 -1.45 -0.03 0.00 0.00 0.00 0.00 30.24 28.97 1h12 n GLN 276 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 1h12 s TRP 277 N -1.87 3.40 -0.57 2.61 0.52 -1.03 -4.54 118.94 117.46 1h12 s TRP 277 Ca 0.34 1.53 -0.28 0.00 0.02 0.00 0.00 56.10 57.72 1h12 s TRP 277 Cb 0.20 -3.43 0.03 0.00 -1.15 0.00 0.00 33.47 29.12 1h12 s TRP 277 CO 0.30 -1.09 1.18 -0.47 0.02 0.00 0.00 176.95 176.89 1h12 s TYR 278 N -0.78 2.62 0.00 -1.98 5.04 0.10 -0.74 117.35 121.61 1h12 s TYR 278 Ca 0.48 0.41 0.00 0.00 -2.44 0.00 0.00 57.07 55.52 1h12 s TYR 278 Cb -0.34 -4.49 0.00 0.00 0.35 0.00 0.00 41.96 37.48 1h12 s TYR 278 CO 0.42 -1.56 0.00 -0.85 -1.34 0.00 0.00 175.55 172.22 1h12 n GLU 279 N 8.37 1.05 -0.16 4.97 -0.00 -1.26 -1.55 120.64 132.06 1h12 n GLU 279 Ca 0.08 0.00 -0.05 0.00 -0.00 0.00 0.00 57.16 57.19 1h12 n GLU 279 Cb 0.49 0.00 0.04 0.00 -0.00 0.00 0.00 31.44 31.97 1h12 n GLU 279 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.13 177.87 1h12 h PHE 280 N 0.00 0.47 -0.12 -1.84 0.04 -1.93 -1.45 116.94 112.10 1h12 h PHE 280 Ca 0.00 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 1h12 h PHE 280 Cb 0.00 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.00 1h12 h PHE 280 CO 0.00 0.24 0.07 -0.44 -0.60 0.00 0.00 178.31 177.58 1h12 h ASP 281 N 0.50 0.15 -0.16 2.17 5.19 -1.96 -3.05 116.42 119.26 1h12 h ASP 281 Ca 0.21 -0.06 0.05 0.00 -0.62 0.00 0.00 57.03 56.60 1h12 h ASP 281 Cb 0.10 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.56 1h12 h ASP 281 CO -0.14 0.17 0.13 0.00 -3.12 0.00 0.00 179.24 176.29 1h12 h ALA 282 N 0.99 1.98 -1.03 3.45 0.00 -1.61 -0.95 119.26 122.09 1h12 h ALA 282 Ca 0.04 -0.01 0.27 0.00 0.00 0.00 0.00 54.91 55.22 1h12 h ALA 282 Cb 0.05 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 17.73 1h12 h ALA 282 CO -0.01 -0.21 0.62 -1.49 0.00 0.00 0.00 179.25 178.16 1h12 h TRP 283 N 0.00 0.90 0.00 0.00 6.55 -1.18 -1.62 115.95 120.60 1h12 h TRP 283 Ca 0.07 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.95 1h12 h TRP 283 Cb 0.34 -0.25 0.00 0.00 -0.86 0.00 0.00 29.16 28.38 1h12 h TRP 283 CO 0.00 0.01 0.00 0.54 -1.05 0.00 0.00 178.44 177.94 1h12 n ARG 284 N -4.85 0.17 0.24 0.49 1.74 -0.36 -4.04 116.66 110.05 1h12 n ARG 284 Ca 0.28 0.22 -0.16 0.00 -0.77 0.00 0.00 57.85 57.42 1h12 n ARG 284 Cb 0.84 -1.73 -0.08 0.00 -1.02 0.00 0.00 32.46 30.47 1h12 n ARG 284 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1h12 h VAL 285 N 0.00 0.58 0.00 1.55 2.07 -1.44 -0.05 116.25 118.96 1h12 h VAL 285 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1h12 h VAL 285 Cb 0.57 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1h12 h VAL 285 CO 0.00 0.00 -0.15 0.16 0.02 0.00 0.00 177.57 177.60 1h12 h ILE 286 N -0.56 0.40 -0.27 4.57 3.07 -1.77 -0.45 117.51 122.50 1h12 h ILE 286 Ca -0.05 -0.90 0.01 0.00 1.55 0.00 0.00 64.86 65.47 1h12 h ILE 286 Cb 0.44 1.66 -0.02 0.00 -0.27 0.00 0.00 36.82 38.63 1h12 h ILE 286 CO 0.08 0.15 0.16 -0.03 -1.05 0.00 0.00 178.15 177.46 1h12 h MET 287 N 0.00 0.32 -0.53 0.16 4.05 -1.57 -0.79 114.93 116.57 1h12 h MET 287 Ca -0.00 -0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.35 1h12 h MET 287 Cb 0.64 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.35 1h12 h MET 287 CO 0.02 0.21 0.13 -0.91 0.23 0.00 0.00 176.91 176.59 1h12 h ASN 288 N 0.33 0.76 -0.43 1.39 2.35 0.04 -0.23 115.58 119.78 1h12 h ASN 288 Ca 0.11 -0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 55.69 1h12 h ASN 288 Cb -0.01 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 1h12 h ASN 288 CO -0.05 0.75 0.16 0.58 -1.65 0.00 0.00 177.43 177.22 1h12 h VAL 289 N 0.79 1.21 -0.30 2.81 2.07 -0.88 -0.16 116.25 121.78 1h12 h VAL 289 Ca 0.17 -0.65 0.02 0.00 0.82 0.00 0.00 66.70 67.06 1h12 h VAL 289 Cb 0.29 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1h12 h VAL 289 CO -0.00 0.24 0.16 1.23 0.02 0.00 0.00 177.57 179.21 1h12 h GLY 290 N 0.55 0.40 0.34 2.17 0.00 -0.76 0.01 103.07 105.78 1h12 h GLY 290 Ca 0.14 -0.11 0.06 0.00 0.00 0.00 0.00 47.33 47.42 1h12 h GLY 290 CO -0.01 0.10 -0.11 -2.00 0.00 0.00 0.00 176.54 174.52 1h12 h LEU 291 N 0.32 -0.38 -0.49 3.11 6.46 -0.85 -0.67 115.31 122.81 1h12 h LEU 291 Ca 0.12 0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 57.96 1h12 h LEU 291 Cb 0.02 0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.16 1h12 h LEU 291 CO -0.07 -0.14 0.23 -0.78 -0.62 0.00 0.00 178.44 177.05 1h12 h ASP 292 N -0.06 0.64 -0.43 1.25 1.82 -0.75 0.20 116.42 119.09 1h12 h ASP 292 Ca 0.15 -0.13 0.01 0.00 -0.39 0.00 0.00 57.03 56.67 1h12 h ASP 292 Cb 0.28 -0.16 -0.03 0.00 0.68 0.00 0.00 39.33 40.10 1h12 h ASP 292 CO -0.33 0.59 0.26 0.00 -1.61 0.00 0.00 179.24 178.15 1h12 h ALA 293 N 1.07 0.54 0.20 -0.78 0.00 -0.72 0.18 119.26 119.75 1h12 h ALA 293 Ca 0.17 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1h12 h ALA 293 Cb 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1h12 h ALA 293 CO -0.02 -0.05 -0.10 1.25 0.00 0.00 0.00 179.25 180.33 1h12 h HIS 294 N 0.53 -0.25 0.06 0.00 -0.00 -0.80 0.12 115.15 114.81 1h12 h HIS 294 Ca 0.17 -0.01 -0.27 0.00 -0.00 0.00 0.00 60.37 60.26 1h12 h HIS 294 Cb -0.01 0.08 0.02 0.00 -0.00 0.00 0.00 27.41 27.50 1h12 h HIS 294 CO -0.06 -0.06 -1.11 -0.07 -0.00 0.00 0.00 177.93 176.63 1h12 h LEU 295 N -0.40 0.74 -0.83 0.26 -0.00 -0.89 -0.24 115.31 113.95 1h12 h LEU 295 Ca -0.03 -0.64 0.00 0.00 -0.00 0.00 0.00 57.88 57.21 1h12 h LEU 295 Cb 0.30 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 40.73 1h12 h LEU 295 CO 0.05 1.45 -0.04 0.23 -0.00 0.00 0.00 178.44 180.13 1h12 n MET 296 N -3.77 1.20 0.00 1.13 2.81 0.61 -0.98 117.12 118.13 1h12 n MET 296 Ca -0.10 -0.51 0.00 0.00 -1.81 0.00 0.00 57.70 55.28 1h12 n MET 296 Cb 0.92 -0.95 0.00 0.00 -0.71 0.00 0.00 33.22 32.48 1h12 n MET 296 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1h12 n GLY 297 N 0.42 2.71 3.67 3.03 0.00 0.02 -3.67 105.19 111.36 1h12 n GLY 297 Ca 0.02 -1.57 -0.40 0.00 0.00 0.00 0.00 46.02 44.06 1h12 n GLY 297 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h12 s ALA 298 N -1.08 3.50 0.43 4.61 0.00 -0.21 -4.25 121.76 124.76 1h12 s ALA 298 Ca 0.00 -0.13 0.07 0.00 0.00 0.00 0.00 51.96 51.90 1h12 s ALA 298 Cb 0.00 -3.02 -0.03 0.00 0.00 0.00 0.00 23.12 20.07 1h12 s ALA 298 CO 0.00 -0.49 0.28 -0.65 0.00 0.00 0.00 175.76 174.89 1h12 s GLN 299 N 1.76 2.35 0.29 0.00 1.11 -1.26 -4.09 119.66 119.81 1h12 s GLN 299 Ca 0.32 -1.75 0.01 0.00 0.01 0.00 0.00 55.36 53.95 1h12 s GLN 299 Cb -0.16 -2.14 0.54 0.00 -1.01 0.00 0.00 33.01 30.24 1h12 s GLN 299 CO 0.12 -0.20 1.85 0.00 0.01 0.00 0.00 175.29 177.07 1h12 h ALA 300 N 1.20 1.52 -0.34 6.09 0.00 -2.00 -2.11 119.26 123.61 1h12 h ALA 300 Ca -0.42 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 1h12 h ALA 300 Cb 1.26 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1h12 h ALA 300 CO 0.64 0.26 -0.13 0.11 0.00 0.00 0.00 179.25 180.13 1h12 h TRP 301 N 1.02 0.66 -0.40 0.00 5.08 -1.99 -1.45 115.95 118.86 1h12 h TRP 301 Ca 0.48 -0.11 -0.01 0.00 1.08 0.00 0.00 58.89 60.33 1h12 h TRP 301 Cb 0.43 -0.17 -0.02 0.00 -3.00 0.00 0.00 29.16 26.40 1h12 h TRP 301 CO -0.00 0.71 0.23 0.45 -1.28 0.00 0.00 178.44 178.54 1h12 h HIS 302 N 0.55 0.54 -0.23 0.12 3.86 -1.76 -1.10 115.15 117.13 1h12 h HIS 302 Ca 0.10 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.27 1h12 h HIS 302 Cb 0.54 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 1h12 h HIS 302 CO 0.02 0.41 0.02 0.87 0.86 0.00 0.00 177.93 180.11 1h12 h LYS 303 N 0.52 0.39 -0.43 2.45 1.57 -1.30 -1.87 116.57 117.90 1h12 h LYS 303 Ca 0.14 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1h12 h LYS 303 Cb 0.04 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1h12 h LYS 303 CO -0.02 0.55 0.20 1.03 -0.57 0.00 0.00 179.45 180.64 1h12 h SER 304 N 0.18 0.57 -0.07 0.86 0.87 -1.22 0.12 113.55 114.87 1h12 h SER 304 Ca 0.07 -0.13 0.03 0.00 -1.23 0.00 0.00 61.79 60.52 1h12 h SER 304 Cb 0.36 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.15 1h12 h SER 304 CO 0.01 0.54 -0.11 0.00 -0.53 0.00 0.00 176.83 176.74 1h12 h ALA 305 N 1.05 -0.07 -0.15 6.23 0.00 -1.05 -1.22 119.26 124.06 1h12 h ALA 305 Ca 0.15 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 1h12 h ALA 305 Cb 0.13 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1h12 h ALA 305 CO -0.02 -0.58 -0.38 0.28 0.00 0.00 0.00 179.25 178.56 1h12 h VAL 306 N -0.16 1.35 -0.83 0.00 2.07 -1.28 -1.96 116.25 115.44 1h12 h VAL 306 Ca 0.06 -1.65 0.02 0.00 0.82 0.00 0.00 66.70 65.95 1h12 h VAL 306 Cb 0.24 2.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.98 1h12 h VAL 306 CO -0.16 0.50 0.55 0.78 0.02 0.00 0.00 177.57 179.25 1h12 h ASN 307 N 0.15 0.93 -0.00 0.57 2.35 -0.91 -0.25 115.58 118.42 1h12 h ASN 307 Ca -0.00 -0.02 -0.21 0.00 -0.55 0.00 0.00 56.30 55.52 1h12 h ASN 307 Cb 0.99 -0.22 0.01 0.00 0.05 0.00 0.00 38.32 39.14 1h12 h ASN 307 CO 0.08 0.66 -0.77 0.11 -1.65 0.00 0.00 177.43 175.86 1h12 h LYS 308 N 1.10 0.66 -0.02 0.81 1.57 -1.24 -0.69 116.57 118.76 1h12 h LYS 308 Ca 0.32 -0.54 -0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1h12 h LYS 308 Cb -0.08 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1h12 h LYS 308 CO -0.08 1.16 -0.00 0.00 -0.57 0.00 0.00 179.45 179.96 1h12 h ALA 309 N 0.68 0.02 -0.75 3.86 0.00 -1.02 -0.66 119.26 121.39 1h12 h ALA 309 Ca -0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1h12 h ALA 309 Cb 1.39 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.13 1h12 h ALA 309 CO 0.15 -0.31 0.42 -0.07 0.00 0.00 0.00 179.25 179.44 1h12 h LEU 310 N -0.29 0.92 -0.62 0.00 3.38 -1.11 -1.40 115.31 116.19 1h12 h LEU 310 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1h12 h LEU 310 Cb 0.33 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1h12 h LEU 310 CO 0.00 0.73 0.40 1.23 0.09 0.00 0.00 178.44 180.89 1h12 h GLY 311 N 1.07 0.88 0.97 0.83 0.00 -0.99 -0.33 103.07 105.51 1h12 h GLY 311 Ca 0.27 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 1h12 h GLY 311 CO -0.04 0.33 0.23 -2.75 0.00 0.00 0.00 176.54 174.31 1h12 h PHE 312 N 0.84 0.59 -0.84 5.60 3.57 -0.62 -1.23 116.94 124.86 1h12 h PHE 312 Ca 0.23 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 1h12 h PHE 312 Cb -0.08 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.44 1h12 h PHE 312 CO -0.03 0.45 0.42 -0.07 -2.23 0.00 0.00 178.31 176.86 1h12 h LEU 313 N 0.55 1.07 -0.62 0.59 3.38 -0.87 0.27 115.31 119.69 1h12 h LEU 313 Ca 0.15 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1h12 h LEU 313 Cb 0.06 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1h12 h LEU 313 CO -0.02 0.89 0.19 0.28 0.09 0.00 0.00 178.44 179.87 1h12 h SER 314 N 1.18 0.90 -0.86 -0.43 0.02 -0.91 -0.91 113.55 112.54 1h12 h SER 314 Ca 0.29 -0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 1h12 h SER 314 Cb 0.08 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.34 1h12 h SER 314 CO -0.04 0.87 0.48 0.22 -1.14 0.00 0.00 176.83 177.22 1h12 h TYR 315 N 0.89 1.19 -0.53 3.45 3.20 -0.63 -2.44 116.97 122.10 1h12 h TYR 315 Ca 0.20 -0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.99 1h12 h TYR 315 Cb 0.30 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.16 1h12 h TYR 315 CO 0.02 0.82 0.10 0.00 -1.64 0.00 0.00 178.16 177.46 1h12 h ALA 316 N 1.31 1.18 -0.86 1.82 0.00 -0.14 -1.77 119.26 120.80 1h12 h ALA 316 Ca 0.31 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1h12 h ALA 316 Cb 0.03 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1h12 h ALA 316 CO -0.05 0.55 0.45 -0.22 0.00 0.00 0.00 179.25 179.98 1h12 h LYS 317 N 0.79 1.20 0.00 0.00 3.64 -0.67 -2.21 116.57 119.33 1h12 h LYS 317 Ca 0.17 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1h12 h LYS 317 Cb 0.33 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1h12 h LYS 317 CO 0.00 0.89 -0.10 1.79 -2.27 0.00 0.00 179.45 179.77 1h12 h THR 318 N 1.20 0.38 -0.81 1.00 1.35 -0.85 -2.54 112.91 112.64 1h12 h THR 318 Ca 0.30 -0.55 -0.48 0.00 -0.55 0.00 0.00 66.41 65.13 1h12 h THR 318 Cb 0.05 1.40 -0.26 0.00 -1.73 0.00 0.00 68.15 67.61 1h12 h THR 318 CO -0.05 0.09 0.39 0.59 -0.25 0.00 0.00 175.52 176.30 1h12 n ASN 319 N -3.42 4.53 -4.09 5.36 3.02 -0.85 -4.94 115.26 114.87 1h12 n ASN 319 Ca -0.01 -3.72 -0.27 0.00 -0.03 0.00 0.00 54.58 50.55 1h12 n ASN 319 Cb 0.26 -0.78 -0.17 0.00 -0.61 0.00 0.00 39.78 38.48 1h12 n ASN 319 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1h12 s ASN 320 N -1.96 2.18 0.49 6.41 3.84 -0.96 -5.00 114.94 119.93 1h12 s ASN 320 Ca 0.55 -0.38 0.33 0.00 0.21 0.00 0.00 52.86 53.58 1h12 s ASN 320 Cb 0.46 -0.95 1.58 0.00 -0.55 0.00 0.00 41.25 41.79 1h12 s ASN 320 CO 0.04 0.08 1.99 0.77 -2.79 0.00 0.00 177.10 177.20 1h12 h SER 321 N 6.80 0.00 -0.09 -4.21 4.64 -1.91 -1.27 113.55 117.52 1h12 h SER 321 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1h12 h SER 321 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1h12 h SER 321 CO 0.47 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.72 1h12 n LYS 322 N -2.77 2.09 -3.68 4.77 5.02 -1.26 -4.96 118.16 117.36 1h12 n LYS 322 Ca -0.01 -1.59 -0.25 0.00 -2.02 0.00 0.00 58.31 54.44 1h12 n LYS 322 Cb 0.17 -1.47 0.06 0.00 -0.02 0.00 0.00 35.03 33.78 1h12 n LYS 322 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1h12 n ASN 323 N 0.90 -5.39 -4.07 4.39 5.15 -0.48 -4.99 115.26 110.77 1h12 n ASN 323 Ca 0.17 -0.63 -0.10 0.00 -0.60 0.00 0.00 54.58 53.42 1h12 n ASN 323 Cb 0.50 -4.66 -0.11 0.00 -0.53 0.00 0.00 39.78 34.98 1h12 n ASN 323 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1h12 s TYR 325 N -2.64 3.39 0.58 0.00 1.13 0.35 -4.20 117.35 115.96 1h12 s TYR 325 Ca -0.02 1.16 0.03 0.00 -1.41 0.00 0.00 57.07 56.83 1h12 s TYR 325 Cb -0.01 -2.48 0.06 0.00 -1.10 0.00 0.00 41.96 38.42 1h12 s TYR 325 CO -0.04 0.14 0.80 -1.21 -2.51 0.00 0.00 175.55 172.73 1h12 s GLU 326 N -2.91 2.32 0.30 -3.49 2.02 -1.26 -0.80 118.70 114.88 1h12 s GLU 326 Ca 0.52 -1.07 0.16 0.00 0.02 0.00 0.00 54.97 54.60 1h12 s GLU 326 Cb -0.11 -2.51 0.19 0.00 0.10 0.00 0.00 34.13 31.80 1h12 s GLU 326 CO 0.18 -0.86 1.50 1.96 0.02 0.00 0.00 175.26 178.06 1h12 h GLN 327 N 0.02 0.00 -3.62 1.61 4.20 -1.25 -3.41 115.11 112.66 1h12 h GLN 327 Ca -0.38 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 57.94 1h12 h GLN 327 Cb 1.29 0.00 -0.37 0.00 0.30 0.00 0.00 27.48 28.70 1h12 h GLN 327 CO 0.46 0.48 -0.75 0.08 -0.67 0.00 0.00 178.83 178.43 1h12 s VAL 328 N -3.08 0.18 0.13 -0.54 1.01 -1.26 -4.42 120.40 112.42 1h12 s VAL 328 Ca 0.03 0.18 0.09 0.00 0.00 0.00 0.00 61.98 62.28 1h12 s VAL 328 Cb 0.08 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 36.09 1h12 s VAL 328 CO 0.73 0.20 -0.21 -0.31 0.00 0.00 0.00 175.10 175.50 1h12 s TYR 329 N 1.63 1.92 -0.04 5.22 1.51 -0.59 -1.54 117.35 125.45 1h12 s TYR 329 Ca -0.01 -0.42 -0.02 0.00 -1.01 0.00 0.00 57.07 55.61 1h12 s TYR 329 Cb -0.13 -1.02 0.03 0.00 -0.11 0.00 0.00 41.96 40.74 1h12 s TYR 329 CO -0.03 0.28 0.08 0.45 -1.11 0.00 0.00 175.55 175.21 1h12 s SER 330 N -2.16 0.69 -1.40 2.29 0.15 -0.35 -0.72 113.70 112.20 1h12 s SER 330 Ca 0.11 0.13 -0.08 0.00 0.70 0.00 0.00 55.95 56.81 1h12 s SER 330 Cb -0.09 -0.03 0.04 0.00 -1.71 0.00 0.00 66.02 64.24 1h12 s SER 330 CO 0.05 -0.21 0.57 -1.22 1.20 0.00 0.00 173.24 173.63 1h12 n TYR 331 N 4.93 -1.90 -0.99 3.44 4.01 -1.26 -0.95 117.16 124.43 1h12 n TYR 331 Ca -0.12 0.52 0.00 0.00 -0.16 0.00 0.00 57.90 58.14 1h12 n TYR 331 Cb 0.50 -3.65 0.00 0.00 -0.31 0.00 0.00 39.34 35.89 1h12 n TYR 331 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1h12 n GLY 332 N -1.35 0.90 3.60 2.72 0.00 -1.26 -4.78 105.19 105.03 1h12 n GLY 332 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 1h12 n GLY 332 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h12 s GLY 333 N -2.00 1.84 0.30 -0.02 0.00 -0.12 -5.07 107.32 102.24 1h12 s GLY 333 Ca 0.00 -0.77 -0.29 0.00 0.00 0.00 0.00 44.72 43.65 1h12 s GLY 333 CO 0.00 -0.07 1.42 0.00 0.00 0.00 0.00 173.10 174.46 1h12 s ALA 334 N 0.19 3.59 -2.04 3.20 0.00 -1.26 -1.21 121.76 124.24 1h12 s ALA 334 Ca 0.02 1.37 0.23 0.00 0.00 0.00 0.00 51.96 53.57 1h12 s ALA 334 Cb -0.13 -3.55 0.64 0.00 0.00 0.00 0.00 23.12 20.08 1h12 s ALA 334 CO 0.01 -0.78 1.54 1.04 0.00 0.00 0.00 175.76 177.57 1h12 n GLN 335 N 1.60 2.70 -3.54 0.00 1.13 -0.59 -4.91 117.38 113.77 1h12 n GLN 335 Ca 0.04 -2.64 -0.22 0.00 -1.94 0.00 0.00 57.00 52.23 1h12 n GLN 335 Cb 0.40 -1.57 0.08 0.00 0.11 0.00 0.00 30.24 29.26 1h12 n GLN 335 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1h12 n ASN 336 N 1.66 -5.84 -1.42 1.08 5.15 -1.26 -4.91 115.26 109.72 1h12 n ASN 336 Ca 0.24 -0.53 -0.02 0.00 -0.60 0.00 0.00 54.58 53.68 1h12 n ASN 336 Cb 0.63 -4.87 0.25 0.00 -0.53 0.00 0.00 39.78 35.26 1h12 n ASN 336 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1h12 n ARG 337 N -4.76 2.83 0.00 1.20 5.12 -1.26 -5.05 116.66 114.74 1h12 n ARG 337 Ca -0.02 -3.04 0.00 0.00 -1.93 0.00 0.00 57.85 52.87 1h12 n ARG 337 Cb 0.57 -1.98 0.00 0.00 -1.16 0.00 0.00 32.46 29.89 1h12 n ARG 337 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1h12 n GLY 338 N -0.61 2.26 3.69 -0.13 0.00 -1.26 -4.55 105.19 104.59 1h12 n GLY 338 Ca 0.34 -1.76 -0.37 0.00 0.00 0.00 0.00 46.02 44.22 1h12 n GLY 338 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h12 n ALA 340 N -1.75 -0.43 -2.53 0.00 0.00 0.02 -4.54 120.51 111.27 1h12 n ALA 340 Ca 0.15 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.06 1h12 n ALA 340 Cb 0.47 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.83 1h12 n ALA 340 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h12 n GLY 341 N 2.29 1.30 0.28 0.00 0.00 -1.26 -4.90 105.19 102.90 1h12 n GLY 341 Ca 0.16 -2.03 -0.04 0.00 0.00 0.00 0.00 46.02 44.11 1h12 n GLY 341 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1h12 h GLU 342 N 0.00 0.75 -0.38 1.61 3.07 -1.94 -2.12 114.58 115.57 1h12 h GLU 342 Ca 0.00 -0.21 -0.12 0.00 -0.50 0.00 0.00 59.36 58.53 1h12 h GLU 342 Cb 0.00 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 27.81 1h12 h GLU 342 CO 0.00 0.79 -0.24 0.78 -1.40 0.00 0.00 179.01 178.94 1h12 h GLY 343 N 0.97 0.84 0.90 -3.84 0.00 -1.85 0.69 103.07 100.77 1h12 h GLY 343 Ca 0.13 -0.72 -0.08 0.00 0.00 0.00 0.00 47.33 46.66 1h12 h GLY 343 CO 0.02 0.66 -0.11 -1.61 0.00 0.00 0.00 176.54 175.50 1h12 h GLN 344 N 0.67 0.60 -0.53 4.80 4.15 -1.87 -0.72 115.11 122.22 1h12 h GLN 344 Ca 0.09 -0.25 -0.02 0.00 0.77 0.00 0.00 58.65 59.24 1h12 h GLN 344 Cb 0.75 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.39 1h12 h GLN 344 CO 0.06 0.82 0.23 0.87 -1.93 0.00 0.00 178.83 178.88 1h12 h LYS 345 N 0.35 0.74 -0.21 1.69 1.57 -1.23 -1.42 116.57 118.07 1h12 h LYS 345 Ca 0.07 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1h12 h LYS 345 Cb 0.62 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1h12 h LYS 345 CO 0.04 0.60 0.04 0.00 -0.57 0.00 0.00 179.45 179.56 1h12 h ALA 346 N 1.51 0.27 -0.66 3.86 0.00 -0.63 -1.30 119.26 122.30 1h12 h ALA 346 Ca 0.18 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1h12 h ALA 346 Cb 0.11 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1h12 h ALA 346 CO -0.02 -0.07 0.37 0.00 0.00 0.00 0.00 179.25 179.53 1h12 h ALA 347 N 0.85 0.88 -0.04 0.00 0.00 -0.88 -2.21 119.26 117.87 1h12 h ALA 347 Ca 0.06 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1h12 h ALA 347 Cb 0.29 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1h12 h ALA 347 CO 0.00 0.05 -0.47 -0.91 0.00 0.00 0.00 179.25 177.92 1h12 h ASN 348 N 0.69 0.10 -0.63 0.00 2.35 -1.10 -2.31 115.58 114.68 1h12 h ASN 348 Ca 0.29 -0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 55.91 1h12 h ASN 348 Cb 0.17 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 1h12 h ASN 348 CO -0.18 0.56 0.05 0.00 -1.65 0.00 0.00 177.43 176.22 1h12 h ALA 349 N 1.44 0.84 -0.40 -0.83 0.00 -0.66 -2.94 119.26 116.71 1h12 h ALA 349 Ca 0.00 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 1h12 h ALA 349 Cb 0.87 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1h12 h ALA 349 CO 0.07 0.65 -0.01 0.28 0.00 0.00 0.00 179.25 180.23 1h12 h VAL 350 N 0.98 1.22 -0.26 0.00 2.07 -1.09 -2.36 116.25 116.82 1h12 h VAL 350 Ca 0.18 -0.92 0.08 0.00 0.82 0.00 0.00 66.70 66.86 1h12 h VAL 350 Cb 0.50 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1h12 h VAL 350 CO 0.02 0.32 0.27 0.00 0.02 0.00 0.00 177.57 178.20 1h12 h ALA 351 N 1.38 1.94 0.00 1.67 0.00 -1.24 -1.96 119.26 121.05 1h12 h ALA 351 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1h12 h ALA 351 Cb 0.41 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1h12 h ALA 351 CO 0.02 -0.41 0.03 -0.07 0.00 0.00 0.00 179.25 178.82 1h12 h LEU 352 N 0.00 0.00 -0.69 0.00 3.38 -1.41 -1.00 115.31 115.59 1h12 h LEU 352 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1h12 h LEU 352 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1h12 h LEU 352 CO -0.00 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.71 1h12 n LEU 353 N -2.89 0.37 -0.37 1.67 4.77 -0.74 -1.42 117.00 118.39 1h12 n LEU 353 Ca -0.03 0.64 0.05 0.00 -0.03 0.00 0.00 56.01 56.64 1h12 n LEU 353 Cb 0.09 -0.64 0.04 0.00 -2.33 0.00 0.00 43.42 40.58 1h12 n LEU 353 CO 0.17 -0.64 0.40 0.00 -1.33 0.00 0.00 177.39 175.99 1h12 n ALA 354 N -1.67 2.48 -1.85 -1.18 0.00 -0.38 -4.49 120.51 113.42 1h12 n ALA 354 Ca 0.01 -0.58 -0.33 0.00 0.00 0.00 0.00 53.44 52.53 1h12 n ALA 354 Cb 0.09 -0.31 -0.07 0.00 0.00 0.00 0.00 19.45 19.17 1h12 n ALA 354 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1h12 s SER 355 N -0.76 6.97 -0.06 0.00 0.15 -0.51 -3.95 113.70 115.54 1h12 s SER 355 Ca 0.11 1.66 0.09 0.00 0.70 0.00 0.00 55.95 58.50 1h12 s SER 355 Cb 0.08 -2.52 0.19 0.00 -1.71 0.00 0.00 66.02 62.05 1h12 s SER 355 CO 0.11 -0.31 1.13 0.35 1.20 0.00 0.00 173.24 175.73 1h12 n THR 356 N -0.46 1.39 -3.92 6.45 -2.24 -1.26 -4.68 114.28 109.55 1h12 n THR 356 Ca 0.06 -1.44 -0.34 0.00 -2.27 0.00 0.00 64.05 60.06 1h12 n THR 356 Cb 0.53 0.21 -0.14 0.00 -2.10 0.00 0.00 70.33 68.84 1h12 n THR 356 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1h12 s ASN 357 N -1.62 4.90 0.31 3.42 3.84 -1.26 -4.85 114.94 119.68 1h12 s ASN 357 Ca 0.18 -1.71 0.02 0.00 0.21 0.00 0.00 52.86 51.55 1h12 s ASN 357 Cb 0.14 -1.70 0.50 0.00 -0.55 0.00 0.00 41.25 39.64 1h12 s ASN 357 CO 0.05 -0.36 1.85 0.00 -2.79 0.00 0.00 177.10 175.85 1h12 h ALA 358 N 7.88 1.29 -0.38 1.71 0.00 -1.94 -0.22 119.26 127.61 1h12 h ALA 358 Ca -0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1h12 h ALA 358 Cb 1.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1h12 h ALA 358 CO 0.56 0.49 0.19 0.78 0.00 0.00 0.00 179.25 181.27 1h12 h GLY 359 N 0.90 0.58 0.99 0.00 0.00 -1.99 0.11 103.07 103.65 1h12 h GLY 359 Ca 0.14 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1h12 h GLY 359 CO 0.01 0.27 0.20 1.46 0.00 0.00 0.00 176.54 178.47 1h12 h GLN 360 N 0.47 0.42 -0.49 4.80 4.20 -1.91 -2.40 115.11 120.20 1h12 h GLN 360 Ca 0.13 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.82 1h12 h GLN 360 Cb 0.11 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 1h12 h GLN 360 CO -0.02 0.29 0.32 0.00 -0.67 0.00 0.00 178.83 178.75 1h12 h ALA 361 N 1.10 0.63 -0.41 3.87 0.00 -0.70 -0.11 119.26 123.64 1h12 h ALA 361 Ca 0.11 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.04 1h12 h ALA 361 Cb -0.03 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1h12 h ALA 361 CO -0.02 0.04 0.16 -2.95 0.00 0.00 0.00 179.25 176.48 1h12 h ASN 362 N 0.64 0.18 0.16 0.00 7.08 -0.60 0.19 115.58 123.24 1h12 h ASN 362 Ca 0.19 0.04 -0.01 0.00 -3.08 0.00 0.00 56.30 53.44 1h12 h ASN 362 Cb -0.05 0.02 0.00 0.00 -2.08 0.00 0.00 38.32 36.21 1h12 h ASN 362 CO -0.06 0.14 -0.08 1.05 -2.08 0.00 0.00 177.43 176.41 1h12 h GLU 363 N 0.33 -0.21 -0.51 4.14 4.11 -1.10 -1.88 114.58 119.47 1h12 h GLU 363 Ca 0.19 0.01 -0.09 0.00 0.07 0.00 0.00 59.36 59.54 1h12 h GLU 363 Cb 0.16 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1h12 h GLU 363 CO -0.18 0.17 -0.05 0.74 0.07 0.00 0.00 179.01 179.76 1h12 h PHE 364 N -0.64 0.97 -0.23 2.06 0.04 -0.96 -1.42 116.94 116.75 1h12 h PHE 364 Ca -0.02 -0.17 -0.06 0.00 2.80 0.00 0.00 57.97 60.52 1h12 h PHE 364 Cb 0.48 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 1h12 h PHE 364 CO 0.05 0.91 -0.09 0.35 -0.60 0.00 0.00 178.31 178.93 1h12 h PHE 365 N 0.81 0.54 -0.16 -0.55 3.57 -0.67 -2.73 116.94 117.75 1h12 h PHE 365 Ca 0.14 -0.13 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 1h12 h PHE 365 Cb 0.56 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 1h12 h PHE 365 CO 0.03 0.73 -0.22 -0.91 -2.23 0.00 0.00 178.31 175.71 1h12 h ASN 366 N 0.20 0.28 -0.09 0.41 2.35 -1.22 0.49 115.58 118.00 1h12 h ASN 366 Ca 0.06 -0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.69 1h12 h ASN 366 Cb 0.57 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 1h12 h ASN 366 CO 0.03 0.51 -0.05 -0.33 -1.65 0.00 0.00 177.43 175.95 1h12 h GLU 367 N 0.26 0.33 0.02 0.81 5.08 -1.17 -1.42 114.58 118.48 1h12 h GLU 367 Ca 0.04 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 1h12 h GLU 367 Cb 0.54 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.74 1h12 h GLU 367 CO 0.04 0.40 -0.29 0.35 -1.00 0.00 0.00 179.01 178.50 1h12 h PHE 368 N 0.32 0.25 0.00 4.33 3.57 -1.05 -3.36 116.94 121.00 1h12 h PHE 368 Ca 0.07 -0.15 -0.04 0.00 3.53 0.00 0.00 57.97 61.38 1h12 h PHE 368 Cb 0.29 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1h12 h PHE 368 CO 0.01 1.01 -0.18 2.35 -2.23 0.00 0.00 178.31 179.26 1h12 h TRP 369 N -0.58 0.00 -0.00 0.41 2.91 -0.76 -2.23 115.95 115.70 1h12 h TRP 369 Ca -0.04 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.98 1h12 h TRP 369 Cb 1.11 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.76 1h12 h TRP 369 CO 0.20 0.18 -0.09 -1.13 -1.03 0.00 0.00 178.44 176.58 1h12 n SER 370 N -3.42 0.13 -4.78 2.65 3.41 -0.55 -4.89 113.62 106.17 1h12 n SER 370 Ca -0.00 0.12 -0.35 0.00 -0.26 0.00 0.00 58.87 58.38 1h12 n SER 370 Cb 0.37 -0.29 -0.01 0.00 -0.26 0.00 0.00 64.21 64.01 1h12 n SER 370 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1h12 s LEU 371 N -2.84 3.86 0.51 1.04 1.43 -0.84 -5.04 118.68 116.79 1h12 s LEU 371 Ca 0.18 2.12 -0.07 0.00 -1.03 0.00 0.00 54.13 55.33 1h12 s LEU 371 Cb 0.19 -4.48 -0.04 0.00 0.03 0.00 0.00 46.19 41.89 1h12 s LEU 371 CO 0.53 -0.98 0.85 -0.94 0.23 0.00 0.00 176.35 176.04 1h12 s SER 372 N -1.74 6.27 0.37 2.29 1.04 -1.26 -5.02 113.70 115.64 1h12 s SER 372 Ca 0.68 1.07 -0.28 0.00 0.48 0.00 0.00 55.95 57.90 1h12 s SER 372 Cb -0.22 -2.31 -0.11 0.00 0.10 0.00 0.00 66.02 63.48 1h12 s SER 372 CO 0.26 -0.64 1.46 -1.58 0.98 0.00 0.00 173.24 173.72 1h12 s GLN 373 N -4.80 4.15 0.34 4.02 0.74 -1.26 -4.87 119.66 117.98 1h12 s GLN 373 Ca 0.50 2.51 -0.28 0.00 0.05 0.00 0.00 55.36 58.13 1h12 s GLN 373 Cb -0.10 -2.99 -0.12 0.00 1.10 0.00 0.00 33.01 30.90 1h12 s GLN 373 CO 0.46 -0.47 1.34 -2.30 -0.55 0.00 0.00 175.29 173.77 1h12 n PRO 374 N 0.54 2.23 -4.39 1.67 -0.02 -1.26 -4.96 135.00 128.81 1h12 n PRO 374 Ca 0.01 0.78 -0.22 0.00 -2.02 0.00 0.00 63.50 62.06 1h12 n PRO 374 Cb 0.40 -2.40 -0.08 0.00 -0.02 0.00 0.00 33.50 31.39 1h12 n PRO 374 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1h12 s THR 375 N -0.97 0.35 0.00 3.45 -4.23 -1.26 -4.34 115.64 108.64 1h12 s THR 375 Ca 0.56 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 1h12 s THR 375 Cb -0.56 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 70.84 1h12 s THR 375 CO 0.61 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.30 1h12 n GLY 376 N -0.72 -1.86 0.20 3.99 0.00 -1.25 -4.19 105.19 101.36 1h12 n GLY 376 Ca -0.00 -1.37 0.14 0.00 0.00 0.00 0.00 46.02 44.79 1h12 n GLY 376 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1h12 h ASP 377 N 0.00 0.00 -0.46 1.61 3.32 -1.97 -2.87 116.42 116.05 1h12 h ASP 377 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1h12 h ASP 377 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1h12 h ASP 377 CO 0.00 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.30 1h12 n TYR 378 N -2.76 1.20 0.42 4.55 4.01 -1.26 -4.43 117.16 118.89 1h12 n TYR 378 Ca 0.03 -0.69 0.13 0.00 -0.16 0.00 0.00 57.90 57.21 1h12 n TYR 378 Cb 0.36 -0.26 0.48 0.00 -0.31 0.00 0.00 39.34 39.61 1h12 n TYR 378 CO 0.00 0.00 0.00 0.07 -0.46 0.00 0.00 176.86 176.47 1h12 h ARG 379 N 2.98 0.00 0.60 -0.72 0.11 -1.67 -3.21 114.38 112.48 1h12 h ARG 379 Ca 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 1h12 h ARG 379 Cb 1.38 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.45 1h12 h ARG 379 CO 0.22 0.00 -0.40 -0.92 0.10 0.00 0.00 179.97 178.97 1h12 h TYR 380 N 0.00 -1.06 0.21 4.08 3.20 -1.83 0.40 116.97 121.97 1h12 h TYR 380 Ca 0.00 -0.01 -0.29 0.00 3.14 0.00 0.00 58.73 61.58 1h12 h TYR 380 Cb 0.54 0.38 0.03 0.00 1.54 0.00 0.00 36.73 39.22 1h12 h TYR 380 CO 0.00 -0.59 -1.25 -0.92 -1.64 0.00 0.00 178.16 173.76 1h12 h TYR 381 N -0.95 0.85 -0.44 -3.82 3.20 -1.92 -1.57 116.97 112.32 1h12 h TYR 381 Ca -0.07 -0.61 0.02 0.00 3.14 0.00 0.00 58.73 61.20 1h12 h TYR 381 Cb 0.78 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.99 1h12 h TYR 381 CO -0.12 1.48 0.26 -0.91 -1.64 0.00 0.00 178.16 177.22 1h12 h ASN 382 N -0.01 0.41 0.19 -2.11 -0.26 -1.63 -2.09 115.58 110.08 1h12 h ASN 382 Ca -0.22 0.00 -0.17 0.00 -0.56 0.00 0.00 56.30 55.36 1h12 h ASN 382 Cb 1.98 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 39.16 1h12 h ASN 382 CO 0.24 0.30 -0.66 1.23 -1.06 0.00 0.00 177.43 177.47 1h12 h GLY 383 N 0.52 0.48 0.91 2.83 0.00 -0.25 -0.88 103.07 106.69 1h12 h GLY 383 Ca 0.17 -0.63 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 1h12 h GLY 383 CO -0.08 0.57 0.06 1.76 0.00 0.00 0.00 176.54 178.85 1h12 h SER 384 N 0.32 0.56 -0.23 0.19 0.02 -1.14 -1.58 113.55 111.68 1h12 h SER 384 Ca -0.02 -0.25 -0.12 0.00 -0.84 0.00 0.00 61.79 60.56 1h12 h SER 384 Cb 1.21 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 1h12 h SER 384 CO 0.12 0.67 -0.27 -0.07 -1.14 0.00 0.00 176.83 176.13 1h12 h LEU 385 N 0.42 0.73 -0.60 5.07 3.38 -1.36 -2.43 115.31 120.53 1h12 h LEU 385 Ca 0.11 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.84 1h12 h LEU 385 Cb 0.35 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1h12 h LEU 385 CO 0.01 0.96 0.34 0.22 0.09 0.00 0.00 178.44 180.06 1h12 h TYR 386 N 0.61 0.64 -0.01 1.13 5.03 -0.98 0.34 116.97 123.74 1h12 h TYR 386 Ca 0.08 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.41 1h12 h TYR 386 Cb 0.77 -0.20 -0.00 0.00 1.55 0.00 0.00 36.73 38.85 1h12 h TYR 386 CO 0.04 0.34 0.00 1.98 -1.32 0.00 0.00 178.16 179.20 1h12 h MET 387 N 0.66 0.01 -0.67 1.82 4.05 -1.17 -0.72 114.93 118.91 1h12 h MET 387 Ca 0.25 -0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.68 1h12 h MET 387 Cb 0.09 -0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.86 1h12 h MET 387 CO -0.14 0.07 0.44 -0.07 0.23 0.00 0.00 176.91 177.44 1h12 h LEU 388 N -0.05 0.76 -0.78 3.39 3.38 -1.16 -2.54 115.31 118.32 1h12 h LEU 388 Ca 0.00 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1h12 h LEU 388 Cb 0.06 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1h12 h LEU 388 CO -0.00 0.55 0.27 0.00 0.09 0.00 0.00 178.44 179.35 1h12 h ALA 389 N 1.25 1.01 -0.97 1.53 0.00 -0.74 -1.35 119.26 119.99 1h12 h ALA 389 Ca 0.25 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 55.03 1h12 h ALA 389 Cb -0.09 -0.30 -0.07 0.00 0.00 0.00 0.00 17.79 17.33 1h12 h ALA 389 CO -0.06 0.67 0.62 0.52 0.00 0.00 0.00 179.25 181.01 1h12 h MET 390 N 1.14 1.02 -0.20 0.00 2.86 -0.73 -0.16 114.93 118.86 1h12 h MET 390 Ca 0.25 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.80 1h12 h MET 390 Cb 0.27 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 1h12 h MET 390 CO -0.01 0.67 0.01 -0.07 1.06 0.00 0.00 176.91 178.57 1h12 h LEU 391 N 1.05 0.34 -1.44 1.22 3.38 -1.09 -3.12 115.31 115.64 1h12 h LEU 391 Ca 0.44 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1h12 h LEU 391 Cb 0.32 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1h12 h LEU 391 CO -0.20 0.55 0.01 0.45 0.09 0.00 0.00 178.44 179.34 1h12 h HIS 392 N 0.12 0.37 -0.10 1.13 3.86 -0.46 -1.59 115.15 118.48 1h12 h HIS 392 Ca 0.06 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1h12 h HIS 392 Cb 0.37 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.73 1h12 h HIS 392 CO 0.03 0.38 0.00 1.33 0.86 0.00 0.00 177.93 180.53 1h12 n VAL 393 N -4.34 0.11 -0.03 2.45 0.24 -0.15 -4.04 118.33 112.56 1h12 n VAL 393 Ca 0.01 -0.43 0.01 0.00 -2.04 0.00 0.00 64.34 61.89 1h12 n VAL 393 Cb 0.20 0.90 0.03 0.00 -1.47 0.00 0.00 33.84 33.50 1h12 n VAL 393 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1h12 n SER 394 N 0.81 2.17 -0.45 -1.34 3.41 -1.12 -0.63 113.62 116.48 1h12 n SER 394 Ca 0.17 -1.99 -0.06 0.00 -0.26 0.00 0.00 58.87 56.73 1h12 n SER 394 Cb 0.48 -0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.36 1h12 n SER 394 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1h12 n GLY 395 N -0.30 0.82 0.29 5.00 0.00 -1.19 -4.82 105.19 104.99 1h12 n GLY 395 Ca 0.02 -0.64 0.10 0.00 0.00 0.00 0.00 46.02 45.50 1h12 n GLY 395 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1h12 n ASN 396 N 0.74 1.58 -4.40 1.61 4.13 -0.61 -4.77 115.26 113.53 1h12 n ASN 396 Ca -0.06 -1.29 -0.44 0.00 1.68 0.00 0.00 54.58 54.47 1h12 n ASN 396 Cb 0.21 0.69 -0.04 0.00 -1.54 0.00 0.00 39.78 39.11 1h12 n ASN 396 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1h12 s PHE 397 N -2.64 3.02 0.19 3.10 2.19 -1.11 -4.83 117.98 117.90 1h12 s PHE 397 Ca 0.14 -1.05 0.09 0.00 0.33 0.00 0.00 56.93 56.44 1h12 s PHE 397 Cb 0.17 -4.12 -0.04 0.00 -1.31 0.00 0.00 43.02 37.72 1h12 s PHE 397 CO 0.68 -1.39 -0.18 0.15 1.83 0.00 0.00 175.22 176.30 1h12 s LYS 398 N 2.77 1.37 -0.28 10.12 1.02 -1.26 -4.97 119.74 128.51 1h12 s LYS 398 Ca 0.19 -1.50 -0.11 0.00 0.02 0.00 0.00 55.97 54.56 1h12 s LYS 398 Cb -0.17 -1.42 -0.05 0.00 -0.52 0.00 0.00 37.83 35.67 1h12 s LYS 398 CO 0.02 0.28 0.19 -0.06 -0.92 0.00 0.00 175.35 174.87 1h12 s PHE 399 N -2.23 3.22 -0.43 3.18 0.40 -1.26 -5.02 117.98 115.85 1h12 s PHE 399 Ca 0.19 0.13 -0.10 0.00 -0.60 0.00 0.00 56.93 56.55 1h12 s PHE 399 Cb -0.05 -2.38 0.08 0.00 0.51 0.00 0.00 43.02 41.18 1h12 s PHE 399 CO 0.08 -0.15 0.28 0.71 0.70 0.00 0.00 175.22 176.84 1h12 s TYR 400 N 1.75 3.32 0.43 0.36 1.51 -1.26 -5.06 117.35 118.40 1h12 s TYR 400 Ca 0.07 -1.43 -0.23 0.00 -1.01 0.00 0.00 57.07 54.47 1h12 s TYR 400 Cb -0.16 -2.99 -0.08 0.00 -0.11 0.00 0.00 41.96 38.62 1h12 s TYR 400 CO 0.11 -0.84 1.08 -0.80 -1.11 0.00 0.00 175.55 173.99 1h12 s ASN 401 N 2.19 6.53 0.58 2.29 0.01 -1.26 -4.55 114.94 120.73 1h12 s ASN 401 Ca 0.03 2.10 -0.15 0.00 -0.71 0.00 0.00 52.86 54.13 1h12 s ASN 401 Cb -0.23 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 38.80 1h12 s ASN 401 CO 0.03 -0.65 1.04 0.20 -1.51 0.00 0.00 177.10 176.20 1h12 s ASN 402 N -1.56 5.97 -0.14 -1.22 -0.87 -1.26 -4.81 114.94 111.05 1h12 s ASN 402 Ca 0.61 1.73 -0.02 0.00 -1.57 0.00 0.00 52.86 53.61 1h12 s ASN 402 Cb -0.23 -2.52 -0.03 0.00 -0.02 0.00 0.00 41.25 38.45 1h12 s ASN 402 CO 0.29 -1.04 -0.06 0.42 -2.57 0.00 0.00 177.10 174.14 1h12 s THR 403 N -2.56 3.70 -0.95 1.60 -4.23 -1.26 -5.01 115.64 106.93 1h12 s THR 403 Ca 0.62 -0.44 0.08 0.00 -1.18 0.00 0.00 61.69 60.77 1h12 s THR 403 Cb -0.14 -2.59 0.06 0.00 1.34 0.00 0.00 72.50 71.17 1h12 s THR 403 CO 0.37 0.52 0.74 0.49 -0.54 0.00 0.00 174.62 176.20