#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m3s n MET 1 N 0.00 0.00 -2.39 1.61 2.00 -1.26 -5.13 117.12 111.95 1m3s n MET 1 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 57.70 57.35 1m3s n MET 1 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.20 1m3s n MET 1 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 1m3s s LYS 2 N -1.27 3.63 0.31 0.03 1.02 -1.26 -4.91 119.74 117.29 1m3s s LYS 2 Ca 0.00 1.53 0.03 0.00 0.02 0.00 0.00 55.97 57.56 1m3s s LYS 2 Cb 0.00 -2.13 0.63 0.00 -0.52 0.00 0.00 37.83 35.81 1m3s s LYS 2 CO 0.00 -0.60 1.88 1.15 -0.92 0.00 0.00 175.35 176.85 1m3s h THR 3 N 1.49 0.95 -0.11 2.17 2.02 -2.01 -0.89 112.91 116.53 1m3s h THR 3 Ca -0.50 -0.31 -0.08 0.00 0.77 0.00 0.00 66.41 66.29 1m3s h THR 3 Cb 1.24 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 1m3s h THR 3 CO 0.58 0.17 -0.30 0.71 0.37 0.00 0.00 175.52 177.05 1m3s h THR 4 N 0.91 1.26 -0.69 3.16 1.35 -2.00 -2.12 112.91 114.78 1m3s h THR 4 Ca 0.44 -1.22 -0.03 0.00 -0.55 0.00 0.00 66.41 65.05 1m3s h THR 4 Cb 0.44 1.51 -0.03 0.00 -1.73 0.00 0.00 68.15 68.34 1m3s h THR 4 CO -0.20 0.36 0.31 -0.33 -0.25 0.00 0.00 175.52 175.42 1m3s h GLU 5 N 0.18 0.99 -0.58 4.72 5.08 -1.58 -2.46 114.58 120.93 1m3s h GLU 5 Ca 0.03 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 1m3s h GLU 5 Cb 0.63 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1m3s h GLU 5 CO 0.05 0.78 0.09 1.88 -1.00 0.00 0.00 179.01 180.81 1m3s h TYR 6 N 0.98 0.99 -0.65 4.33 -1.99 -0.63 -0.62 116.97 119.37 1m3s h TYR 6 Ca 0.24 -0.12 0.08 0.00 2.00 0.00 0.00 58.73 60.93 1m3s h TYR 6 Cb 0.13 -0.28 -0.06 0.00 2.00 0.00 0.00 36.73 38.52 1m3s h TYR 6 CO 0.01 0.85 0.32 0.28 -0.00 0.00 0.00 178.16 179.61 1m3s h VAL 7 N 0.89 0.86 -0.27 -2.88 2.07 -1.21 0.22 116.25 115.93 1m3s h VAL 7 Ca 0.18 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1m3s h VAL 7 Cb 0.39 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1m3s h VAL 7 CO 0.01 0.10 0.17 0.00 0.02 0.00 0.00 177.57 177.87 1m3s h ALA 8 N 1.39 0.34 -0.63 1.67 0.00 -0.88 -0.59 119.26 120.57 1m3s h ALA 8 Ca 0.31 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.22 1m3s h ALA 8 Cb 0.31 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1m3s h ALA 8 CO -0.25 -0.17 0.38 0.93 0.00 0.00 0.00 179.25 180.15 1m3s h GLU 9 N 0.35 0.72 -0.43 0.00 4.39 -0.39 0.27 114.58 119.49 1m3s h GLU 9 Ca 0.10 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1m3s h GLU 9 Cb -0.01 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 1m3s h GLU 9 CO -0.02 0.48 0.28 0.82 -1.16 0.00 0.00 179.01 179.41 1m3s h ILE 10 N 0.74 1.11 -0.65 3.13 2.04 -0.13 -1.80 117.51 121.96 1m3s h ILE 10 Ca 0.26 -0.20 0.08 0.00 1.00 0.00 0.00 64.86 66.00 1m3s h ILE 10 Cb 0.06 0.48 -0.06 0.00 -0.74 0.00 0.00 36.82 36.55 1m3s h ILE 10 CO -0.12 0.11 0.31 -0.07 0.00 0.00 0.00 178.15 178.38 1m3s h LEU 11 N 0.58 0.41 -0.66 1.44 3.38 -0.56 -1.91 115.31 117.99 1m3s h LEU 11 Ca 0.16 0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.27 1m3s h LEU 11 Cb -0.07 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.59 1m3s h LEU 11 CO -0.03 0.25 0.29 0.78 0.09 0.00 0.00 178.44 179.82 1m3s h ASN 12 N 0.56 0.34 -0.11 -0.43 2.35 -0.54 -1.37 115.58 116.38 1m3s h ASN 12 Ca 0.31 0.07 -0.12 0.00 -0.55 0.00 0.00 56.30 56.01 1m3s h ASN 12 Cb 0.30 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 1m3s h ASN 12 CO -0.24 0.19 -0.33 -0.33 -1.65 0.00 0.00 177.43 175.07 1m3s h GLU 13 N 0.50 0.60 -0.34 0.81 5.08 -0.90 -3.07 114.58 117.26 1m3s h GLU 13 Ca 0.33 -0.27 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 1m3s h GLU 13 Cb 0.38 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1m3s h GLU 13 CO -0.29 0.85 -0.17 -0.07 -1.00 0.00 0.00 179.01 178.33 1m3s h LEU 14 N 0.51 0.62 -0.11 1.33 3.38 -0.69 -2.43 115.31 117.92 1m3s h LEU 14 Ca 0.06 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.85 1m3s h LEU 14 Cb 0.81 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1m3s h LEU 14 CO 0.07 0.80 0.03 0.45 0.09 0.00 0.00 178.44 179.88 1m3s h HIS 15 N 0.56 0.06 -0.78 1.13 3.86 -1.18 0.81 115.15 119.62 1m3s h HIS 15 Ca 0.09 0.01 0.12 0.00 -1.16 0.00 0.00 60.37 59.42 1m3s h HIS 15 Cb 0.61 -0.01 -0.08 0.00 1.06 0.00 0.00 27.41 28.99 1m3s h HIS 15 CO 0.03 0.03 0.39 -0.91 0.86 0.00 0.00 177.93 178.32 1m3s h ASN 16 N 0.09 0.49 -0.43 2.45 2.35 -1.49 -2.48 115.58 116.56 1m3s h ASN 16 Ca 0.05 0.07 -0.07 0.00 -0.55 0.00 0.00 56.30 55.80 1m3s h ASN 16 Cb 0.03 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 1m3s h ASN 16 CO -0.05 0.25 -0.02 0.28 -1.65 0.00 0.00 177.43 176.24 1m3s h SER 17 N 0.62 0.76 -0.95 5.81 0.02 -0.81 -2.98 113.55 116.02 1m3s h SER 17 Ca 0.40 -0.32 0.07 0.00 -0.84 0.00 0.00 61.79 61.10 1m3s h SER 17 Cb 0.49 -0.21 -0.07 0.00 0.14 0.00 0.00 62.40 62.76 1m3s h SER 17 CO -0.31 0.89 0.60 0.00 -1.14 0.00 0.00 176.83 176.87 1m3s h ALA 18 N 0.89 1.31 0.00 3.77 0.00 -0.52 -2.41 119.26 122.30 1m3s h ALA 18 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1m3s h ALA 18 Cb 0.51 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1m3s h ALA 18 CO 0.03 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.64 1m3s h ALA 19 N 1.44 1.00 0.00 0.00 0.00 -1.30 -2.73 119.26 117.67 1m3s h ALA 19 Ca 0.41 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.17 1m3s h ALA 19 Cb 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1m3s h ALA 19 CO -0.18 0.00 -0.86 -0.92 0.00 0.00 0.00 179.25 177.30 1m3s h TYR 20 N 0.00 0.00 -3.11 0.00 3.20 -1.36 -3.46 116.97 112.24 1m3s h TYR 20 Ca 0.00 0.00 -0.54 0.00 3.14 0.00 0.00 58.73 61.33 1m3s h TYR 20 Cb 0.44 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.71 1m3s h TYR 20 CO 0.00 0.66 0.64 0.42 -1.64 0.00 0.00 178.16 178.24 1m3s s ILE 21 N -2.87 3.91 -0.30 1.81 1.01 -1.03 -4.96 121.20 118.77 1m3s s ILE 21 Ca 0.02 1.35 -0.29 0.00 0.00 0.00 0.00 60.65 61.72 1m3s s ILE 21 Cb 0.08 -3.86 0.00 0.00 0.01 0.00 0.00 42.46 38.69 1m3s s ILE 21 CO 0.78 0.07 1.26 -0.55 0.00 0.00 0.00 174.94 176.51 1m3s s SER 22 N 1.24 6.73 0.44 3.58 0.15 -1.26 -4.93 113.70 119.65 1m3s s SER 22 Ca 0.60 1.21 0.15 0.00 0.70 0.00 0.00 55.95 58.61 1m3s s SER 22 Cb -0.30 -2.54 0.99 0.00 -1.71 0.00 0.00 66.02 62.46 1m3s s SER 22 CO 0.28 -1.03 1.97 -1.13 1.20 0.00 0.00 173.24 174.53 1m3s h ASN 23 N 9.02 0.00 -0.44 5.45 -1.24 -1.96 -3.04 115.58 123.36 1m3s h ASN 23 Ca -0.25 0.00 0.05 0.00 0.71 0.00 0.00 56.30 56.80 1m3s h ASN 23 Cb 1.09 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 40.10 1m3s h ASN 23 CO 1.03 0.21 0.19 -0.33 -1.29 0.00 0.00 177.43 177.25 1m3s h GLU 24 N 0.00 0.38 -0.22 6.67 4.39 -1.99 0.13 114.58 123.94 1m3s h GLU 24 Ca -0.00 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.58 1m3s h GLU 24 Cb 0.39 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1m3s h GLU 24 CO 0.03 0.25 -0.25 0.93 -1.16 0.00 0.00 179.01 178.81 1m3s h GLU 25 N 0.39 0.56 -0.58 2.33 3.07 -1.89 -2.64 114.58 115.83 1m3s h GLU 25 Ca 0.20 -0.31 0.11 0.00 -0.50 0.00 0.00 59.36 58.86 1m3s h GLU 25 Cb 0.15 0.02 -0.09 0.00 -0.84 0.00 0.00 28.75 27.99 1m3s h GLU 25 CO -0.17 0.90 0.10 0.00 -1.40 0.00 0.00 179.01 178.44 1m3s h ALA 26 N 0.65 0.66 -0.45 3.43 0.00 -1.36 -1.85 119.26 120.34 1m3s h ALA 26 Ca 0.03 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1m3s h ALA 26 Cb 0.82 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1m3s h ALA 26 CO 0.06 -0.33 -0.03 -0.44 0.00 0.00 0.00 179.25 178.51 1m3s h ASP 27 N 0.22 0.72 -0.26 0.00 3.32 -0.71 -2.10 116.42 117.62 1m3s h ASP 27 Ca 0.30 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 1m3s h ASP 27 Cb 0.45 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1m3s h ASP 27 CO -0.41 0.81 0.04 1.56 -1.72 0.00 0.00 179.24 179.52 1m3s h GLN 28 N 0.70 0.54 -0.31 3.56 4.20 -1.00 -2.63 115.11 120.16 1m3s h GLN 28 Ca 0.13 -0.10 0.04 0.00 0.06 0.00 0.00 58.65 58.78 1m3s h GLN 28 Cb 0.47 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.13 1m3s h GLN 28 CO 0.02 0.53 0.09 1.25 -0.67 0.00 0.00 178.83 180.05 1m3s h LEU 29 N 0.52 0.07 -0.71 1.46 5.85 -0.64 -1.03 115.31 120.83 1m3s h LEU 29 Ca 0.12 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.79 1m3s h LEU 29 Cb 0.27 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1m3s h LEU 29 CO 0.00 0.07 0.07 0.00 -0.34 0.00 0.00 178.44 178.24 1m3s h ALA 30 N 1.21 0.93 -0.33 1.25 0.00 -1.44 0.62 119.26 121.50 1m3s h ALA 30 Ca 0.14 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.81 1m3s h ALA 30 Cb 0.13 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1m3s h ALA 30 CO -0.17 0.66 0.09 -0.44 0.00 0.00 0.00 179.25 179.40 1m3s h ASP 31 N 0.98 0.08 -0.58 0.00 3.45 -1.09 -0.10 116.42 119.15 1m3s h ASP 31 Ca 0.19 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.70 1m3s h ASP 31 Cb 0.47 0.04 -0.03 0.00 -0.56 0.00 0.00 39.33 39.26 1m3s h ASP 31 CO 0.02 0.08 0.38 0.45 -1.57 0.00 0.00 179.24 178.60 1m3s h HIS 32 N 0.23 0.74 -0.53 4.55 3.86 -0.66 -2.14 115.15 121.19 1m3s h HIS 32 Ca 0.15 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.39 1m3s h HIS 32 Cb 0.14 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.34 1m3s h HIS 32 CO -0.16 0.48 0.35 0.82 0.86 0.00 0.00 177.93 180.28 1m3s h ILE 33 N 0.79 1.12 0.00 2.45 2.04 -0.29 -0.94 117.51 122.68 1m3s h ILE 33 Ca 0.21 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 1m3s h ILE 33 Cb -0.07 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 36.36 1m3s h ILE 33 CO -0.04 0.13 -0.10 -0.07 0.00 0.00 0.00 178.15 178.07 1m3s h LEU 34 N 0.70 0.00 0.00 1.44 3.38 -0.68 -3.27 115.31 116.88 1m3s h LEU 34 Ca 0.20 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.82 1m3s h LEU 34 Cb -0.06 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.62 1m3s h LEU 34 CO -0.05 0.10 -2.30 -1.54 0.09 0.00 0.00 178.44 174.73 1m3s n SER 35 N -3.63 0.33 -4.74 -0.43 3.41 -0.84 -4.97 113.62 102.74 1m3s n SER 35 Ca -0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.18 1m3s n SER 35 Cb 0.21 0.97 -0.03 0.00 -0.26 0.00 0.00 64.21 65.10 1m3s n SER 35 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1m3s s SER 36 N -5.32 6.99 0.19 4.04 0.01 -0.41 -4.96 113.70 114.24 1m3s s SER 36 Ca -0.09 2.32 -0.06 0.00 1.31 0.00 0.00 55.95 59.43 1m3s s SER 36 Cb 0.06 -2.61 0.10 0.00 0.21 0.00 0.00 66.02 63.78 1m3s s SER 36 CO 0.78 -0.45 1.56 -0.74 0.41 0.00 0.00 173.24 174.80 1m3s h HIS 37 N 5.27 0.93 -4.32 2.43 2.76 -1.89 -3.43 115.15 116.89 1m3s h HIS 37 Ca -0.45 -0.25 -0.62 0.00 -2.20 0.00 0.00 60.37 56.86 1m3s h HIS 37 Cb 1.21 -0.21 -0.28 0.00 1.55 0.00 0.00 27.41 29.69 1m3s h HIS 37 CO 0.62 1.01 -0.86 -0.65 -1.30 0.00 0.00 177.93 176.75 1m3s s GLN 38 N -4.45 1.62 -0.11 5.26 -0.21 -1.26 -4.46 119.66 116.05 1m3s s GLN 38 Ca -0.10 -0.90 0.03 0.00 0.02 0.00 0.00 55.36 54.42 1m3s s GLN 38 Cb 0.12 -1.67 -0.00 0.00 1.00 0.00 0.00 33.01 32.46 1m3s s GLN 38 CO 0.85 0.44 -0.23 0.42 -2.12 0.00 0.00 175.29 174.66 1m3s s ILE 39 N -0.68 2.17 -0.12 1.08 1.09 -0.48 -1.83 121.20 122.44 1m3s s ILE 39 Ca 0.09 -0.97 0.02 0.00 -1.10 0.00 0.00 60.65 58.68 1m3s s ILE 39 Cb -0.09 -1.84 -0.01 0.00 -1.06 0.00 0.00 42.46 39.46 1m3s s ILE 39 CO 0.01 0.55 -0.18 -0.36 -0.10 0.00 0.00 174.94 174.86 1m3s s PHE 40 N 0.40 2.71 0.22 3.97 0.40 -0.23 0.00 117.98 125.45 1m3s s PHE 40 Ca -0.17 -0.88 0.06 0.00 -0.60 0.00 0.00 56.93 55.34 1m3s s PHE 40 Cb -0.17 -1.80 -0.04 0.00 0.51 0.00 0.00 43.02 41.52 1m3s s PHE 40 CO 0.07 -0.35 0.20 0.95 0.70 0.00 0.00 175.22 176.79 1m3s s THR 41 N 0.43 4.57 -0.03 0.64 -4.23 0.22 -0.80 115.64 116.44 1m3s s THR 41 Ca -0.13 -1.23 -0.26 0.00 -1.18 0.00 0.00 61.69 58.88 1m3s s THR 41 Cb -0.17 -3.42 0.06 0.00 1.34 0.00 0.00 72.50 70.31 1m3s s THR 41 CO 0.06 -0.26 0.58 0.00 -0.54 0.00 0.00 174.62 174.46 1m3s s ALA 42 N -1.98 -1.50 -0.06 3.99 0.00 -0.11 -0.71 121.76 121.39 1m3s s ALA 42 Ca 0.32 1.00 -0.31 0.00 0.00 0.00 0.00 51.96 52.98 1m3s s ALA 42 Cb -0.09 0.07 0.13 0.00 0.00 0.00 0.00 23.12 23.23 1m3s s ALA 42 CO 0.25 -0.37 1.36 0.20 0.00 0.00 0.00 175.76 177.21 1m3s s GLY 43 N -1.33 -0.38 0.17 0.00 0.00 -1.26 -2.02 107.32 102.50 1m3s s GLY 43 Ca -0.11 0.62 0.09 0.00 0.00 0.00 0.00 44.72 45.32 1m3s s GLY 43 CO 0.07 1.99 -0.11 0.00 0.00 0.00 0.00 173.10 175.05 1m3s s ALA 44 N -2.14 2.90 0.00 3.20 0.00 -1.26 -4.07 121.76 120.39 1m3s s ALA 44 Ca 0.20 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 50.69 1m3s s ALA 44 Cb 0.05 -0.71 0.00 0.00 0.00 0.00 0.00 23.12 22.45 1m3s s ALA 44 CO -0.04 0.48 0.00 0.41 0.00 0.00 0.00 175.76 176.61 1m3s n GLY 45 N 0.15 2.64 0.35 0.00 0.00 -1.26 -1.84 105.19 105.24 1m3s n GLY 45 Ca -0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 46.02 45.64 1m3s n GLY 45 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1m3s h ARG 46 N 0.00 1.06 -0.88 1.61 3.08 -2.00 -1.05 114.38 116.22 1m3s h ARG 46 Ca 0.00 -0.08 0.04 0.00 0.07 0.00 0.00 59.98 60.01 1m3s h ARG 46 Cb 0.00 -0.23 -0.05 0.00 0.08 0.00 0.00 29.97 29.77 1m3s h ARG 46 CO 0.00 0.72 0.58 0.77 -1.07 0.00 0.00 179.97 180.97 1m3s h SER 47 N 1.09 0.94 -0.98 7.04 0.02 -1.82 -0.45 113.55 119.38 1m3s h SER 47 Ca 0.29 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.27 1m3s h SER 47 Cb -0.09 -0.21 -0.06 0.00 0.14 0.00 0.00 62.40 62.18 1m3s h SER 47 CO -0.06 0.64 0.64 1.23 -1.14 0.00 0.00 176.83 178.14 1m3s h GLY 48 N 1.08 1.43 1.23 -3.77 0.00 -0.46 -1.24 103.07 101.34 1m3s h GLY 48 Ca 0.35 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 1m3s h GLY 48 CO -0.11 0.42 0.26 1.41 0.00 0.00 0.00 176.54 178.52 1m3s h LEU 49 N 1.24 0.90 -0.85 3.11 3.38 -0.11 -1.31 115.31 121.67 1m3s h LEU 49 Ca 0.39 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 58.11 1m3s h LEU 49 Cb 0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1m3s h LEU 49 CO -0.12 0.81 -0.45 0.24 0.09 0.00 0.00 178.44 179.01 1m3s h MET 50 N 0.97 0.27 -0.43 1.13 2.86 -0.95 -1.34 114.93 117.44 1m3s h MET 50 Ca 0.22 -0.14 -0.09 0.00 -2.06 0.00 0.00 59.70 57.64 1m3s h MET 50 Cb 0.20 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 1m3s h MET 50 CO -0.02 0.68 -0.09 0.00 1.06 0.00 0.00 176.91 178.54 1m3s h ALA 51 N 1.31 1.04 -0.44 6.32 0.00 -0.79 -1.50 119.26 125.20 1m3s h ALA 51 Ca 0.02 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 1m3s h ALA 51 Cb 0.89 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1m3s h ALA 51 CO 0.07 0.59 -0.22 0.87 0.00 0.00 0.00 179.25 180.55 1m3s h LYS 52 N 0.69 0.93 -0.73 0.00 1.57 -0.88 -1.08 116.57 117.06 1m3s h LYS 52 Ca 0.12 -0.41 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1m3s h LYS 52 Cb 0.56 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.81 1m3s h LYS 52 CO 0.03 1.07 0.44 0.77 -0.57 0.00 0.00 179.45 181.20 1m3s h SER 53 N 0.76 0.87 -0.07 0.86 0.02 -0.89 -1.29 113.55 113.80 1m3s h SER 53 Ca 0.10 -0.04 -0.13 0.00 -0.84 0.00 0.00 61.79 60.87 1m3s h SER 53 Cb 0.80 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 63.13 1m3s h SER 53 CO 0.07 0.66 -0.46 0.15 -1.14 0.00 0.00 176.83 176.11 1m3s h PHE 54 N 1.00 0.61 -0.67 3.45 -0.00 -1.08 -2.94 116.94 117.32 1m3s h PHE 54 Ca 0.26 -0.28 -0.00 0.00 -0.00 0.00 0.00 57.97 57.95 1m3s h PHE 54 Cb -0.05 -0.09 -0.03 0.00 -0.00 0.00 0.00 35.95 35.78 1m3s h PHE 54 CO 0.00 1.05 0.41 0.00 -0.00 0.00 0.00 178.31 179.78 1m3s h ALA 55 N 0.43 1.46 -0.28 2.41 0.00 -0.91 0.23 119.26 122.60 1m3s h ALA 55 Ca -0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1m3s h ALA 55 Cb 1.12 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1m3s h ALA 55 CO 0.09 0.47 0.12 1.98 0.00 0.00 0.00 179.25 181.91 1m3s h MET 56 N 0.92 0.41 -0.18 0.00 1.85 -1.28 -1.02 114.93 115.64 1m3s h MET 56 Ca 0.24 -0.07 -0.12 0.00 -0.61 0.00 0.00 59.70 59.14 1m3s h MET 56 Cb -0.05 -0.07 -0.01 0.00 0.43 0.00 0.00 31.60 31.90 1m3s h MET 56 CO -0.05 0.42 -0.40 -0.09 -0.40 0.00 0.00 176.91 176.40 1m3s h ARG 57 N 0.30 0.40 -0.58 0.39 9.65 -1.15 -1.49 114.38 121.90 1m3s h ARG 57 Ca 0.09 -0.19 0.02 0.00 -1.10 0.00 0.00 59.98 58.80 1m3s h ARG 57 Cb 0.16 -0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.71 1m3s h ARG 57 CO -0.01 0.74 0.36 -0.07 2.80 0.00 0.00 179.97 183.79 1m3s h LEU 58 N 0.33 0.59 -0.70 3.80 3.38 -0.80 -2.11 115.31 119.80 1m3s h LEU 58 Ca 0.03 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1m3s h LEU 58 Cb 0.85 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 1m3s h LEU 58 CO 0.07 0.41 0.45 -0.03 0.09 0.00 0.00 178.44 179.43 1m3s h MET 59 N 0.71 0.87 -0.57 1.13 4.05 -0.88 -1.09 114.93 119.15 1m3s h MET 59 Ca 0.23 -0.05 0.11 0.00 -0.28 0.00 0.00 59.70 59.71 1m3s h MET 59 Cb 0.00 -0.20 -0.03 0.00 -0.80 0.00 0.00 31.60 30.57 1m3s h MET 59 CO -0.09 0.58 0.39 0.45 0.23 0.00 0.00 176.91 178.46 1m3s h HIS 60 N 0.90 0.32 -0.04 1.39 3.86 -0.65 -0.73 115.15 120.20 1m3s h HIS 60 Ca 0.27 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.49 1m3s h HIS 60 Cb -0.04 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.33 1m3s h HIS 60 CO -0.03 0.15 0.00 -1.33 0.86 0.00 0.00 177.93 177.57 1m3s n MET 61 N -4.45 1.28 -0.93 2.45 2.00 -0.86 -4.27 117.12 112.33 1m3s n MET 61 Ca 0.10 -0.41 0.00 0.00 0.00 0.00 0.00 57.70 57.38 1m3s n MET 61 Cb 0.43 -1.40 0.00 0.00 0.00 0.00 0.00 33.22 32.24 1m3s n MET 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1m3s n GLY 62 N 0.99 0.48 3.86 3.03 0.00 -0.28 -5.07 105.19 108.19 1m3s n GLY 62 Ca 0.18 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 1m3s n GLY 62 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1m3s s PHE 63 N -2.00 3.45 -1.26 1.61 0.40 -0.46 -4.97 117.98 114.76 1m3s s PHE 63 Ca 0.00 1.27 -0.17 0.00 -0.60 0.00 0.00 56.93 57.43 1m3s s PHE 63 Cb 0.00 -2.62 0.10 0.00 0.51 0.00 0.00 43.02 41.01 1m3s s PHE 63 CO 0.00 -0.22 1.63 -0.80 0.70 0.00 0.00 175.22 176.54 1m3s s ASN 64 N -3.03 6.89 -0.01 1.36 0.02 -1.26 -4.20 114.94 114.71 1m3s s ASN 64 Ca 0.55 -2.55 0.01 0.00 -1.02 0.00 0.00 52.86 49.86 1m3s s ASN 64 Cb -0.10 -2.53 -0.04 0.00 0.02 0.00 0.00 41.25 38.61 1m3s s ASN 64 CO 0.30 -1.07 -0.00 0.00 0.02 0.00 0.00 177.10 176.35 1m3s s ALA 65 N 3.51 3.27 0.13 0.60 0.00 -1.26 -1.38 121.76 126.63 1m3s s ALA 65 Ca 0.50 -0.94 -0.06 0.00 0.00 0.00 0.00 51.96 51.46 1m3s s ALA 65 Cb 0.02 -1.34 -0.02 0.00 0.00 0.00 0.00 23.12 21.78 1m3s s ALA 65 CO 0.05 0.64 0.16 -1.01 0.00 0.00 0.00 175.76 175.60 1m3s s HIS 66 N -1.07 0.52 -0.15 0.00 3.76 0.10 -4.89 115.29 113.56 1m3s s HIS 66 Ca 0.19 -0.92 0.01 0.00 -0.15 0.00 0.00 55.06 54.20 1m3s s HIS 66 Cb -0.11 -0.23 0.02 0.00 1.11 0.00 0.00 32.58 33.37 1m3s s HIS 66 CO 0.10 -0.59 -0.18 0.42 -0.85 0.00 0.00 174.74 173.64 1m3s s ILE 67 N -3.97 1.83 0.17 0.60 1.01 -1.26 -0.61 121.20 118.96 1m3s s ILE 67 Ca 0.16 -0.81 -0.33 0.00 0.00 0.00 0.00 60.65 59.67 1m3s s ILE 67 Cb 0.05 -1.66 -0.13 0.00 0.01 0.00 0.00 42.46 40.73 1m3s s ILE 67 CO -0.02 0.50 1.65 0.52 0.00 0.00 0.00 174.94 177.59 1m3s n VAL 68 N 4.53 0.04 0.00 2.92 0.31 0.11 -3.20 118.33 123.04 1m3s n VAL 68 Ca -0.19 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1m3s n VAL 68 Cb 0.50 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.71 1m3s n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1m3s n GLY 69 N 3.67 0.43 3.93 2.92 0.00 -1.26 -4.89 105.19 109.98 1m3s n GLY 69 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 1m3s n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1m3s s GLU 70 N -0.95 3.04 0.25 1.61 0.41 -1.19 -4.99 118.70 116.89 1m3s s GLU 70 Ca 0.00 -0.11 -0.05 0.00 -0.41 0.00 0.00 54.97 54.40 1m3s s GLU 70 Cb 0.00 -2.37 0.30 0.00 -1.78 0.00 0.00 34.13 30.28 1m3s s GLU 70 CO 0.00 -0.51 1.87 0.82 -0.49 0.00 0.00 175.26 176.94 1m3s h ILE 71 N 0.04 1.24 -0.65 -1.63 1.08 -1.98 -2.86 117.51 112.75 1m3s h ILE 71 Ca -0.46 -0.64 0.00 0.00 -0.39 0.00 0.00 64.86 63.37 1m3s h ILE 71 Cb 1.25 0.19 0.00 0.00 -3.07 0.00 0.00 36.82 35.19 1m3s h ILE 71 CO 0.60 0.28 0.00 0.18 -0.69 0.00 0.00 178.15 178.52 1m3s n LEU 72 N -4.33 4.65 -4.70 1.44 4.77 -1.26 -4.96 117.00 112.60 1m3s n LEU 72 Ca 0.08 -2.41 -0.42 0.00 -0.03 0.00 0.00 56.01 53.23 1m3s n LEU 72 Cb 0.12 -0.56 -0.03 0.00 -2.33 0.00 0.00 43.42 40.62 1m3s n LEU 72 CO 0.39 0.83 1.27 -0.89 -1.33 0.00 0.00 177.39 177.66 1m3s s THR 73 N -1.76 2.86 0.72 -5.08 2.01 -1.08 -4.99 115.64 108.31 1m3s s THR 73 Ca 0.50 0.49 -0.08 0.00 0.31 0.00 0.00 61.69 62.91 1m3s s THR 73 Cb 0.32 -3.31 0.06 0.00 0.01 0.00 0.00 72.50 69.58 1m3s s THR 73 CO 0.25 0.02 1.04 -2.16 -0.69 0.00 0.00 174.62 173.08 1m3s s PRO 74 N 1.92 2.22 0.47 4.92 0.04 -1.26 -5.01 135.00 138.30 1m3s s PRO 74 Ca 0.72 -0.13 -0.23 0.00 0.04 0.00 0.00 61.00 61.39 1m3s s PRO 74 Cb -0.41 -2.12 -0.07 0.00 0.04 0.00 0.00 34.50 31.93 1m3s s PRO 74 CO 0.32 -1.27 1.25 -1.25 0.04 0.00 0.00 177.00 176.08 1m3s s PRO 75 N -5.30 3.63 0.19 0.56 0.04 -1.26 -5.01 135.00 127.85 1m3s s PRO 75 Ca 0.60 1.98 -0.30 0.00 0.04 0.00 0.00 61.00 63.33 1m3s s PRO 75 Cb -0.11 -2.44 -0.08 0.00 0.04 0.00 0.00 34.50 31.91 1m3s s PRO 75 CO 0.46 -0.72 1.04 -1.17 0.04 0.00 0.00 177.00 176.65 1m3s s LEU 76 N -3.03 4.54 0.22 -3.56 0.20 -1.26 -5.09 118.68 110.69 1m3s s LEU 76 Ca 0.64 2.03 0.10 0.00 0.69 0.00 0.00 54.13 57.59 1m3s s LEU 76 Cb -0.34 -3.61 -0.04 0.00 -0.43 0.00 0.00 46.19 41.77 1m3s s LEU 76 CO 0.41 -0.10 -0.09 0.00 -0.29 0.00 0.00 176.35 176.29 1m3s s ALA 77 N -0.54 2.96 0.13 5.97 0.00 -1.26 -5.06 121.76 123.97 1m3s s ALA 77 Ca 0.46 -1.59 -0.32 0.00 0.00 0.00 0.00 51.96 50.51 1m3s s ALA 77 Cb -0.28 -0.67 -0.18 0.00 0.00 0.00 0.00 23.12 22.00 1m3s s ALA 77 CO 0.34 0.38 0.78 -1.91 0.00 0.00 0.00 175.76 175.35 1m3s n GLU 78 N -0.32 0.16 -0.22 0.00 2.13 -1.24 -1.66 120.64 119.48 1m3s n GLU 78 Ca -0.09 0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.79 1m3s n GLU 78 Cb 0.57 -1.28 0.00 0.00 0.27 0.00 0.00 31.44 31.00 1m3s n GLU 78 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1m3s n GLY 79 N 1.81 1.55 3.82 8.31 0.00 -0.10 -4.95 105.19 115.63 1m3s n GLY 79 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1m3s n GLY 79 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1m3s s ASP 80 N -3.19 5.60 -0.13 1.61 -0.00 -0.66 -4.60 116.67 115.30 1m3s s ASP 80 Ca 0.00 1.62 -0.05 0.00 -0.00 0.00 0.00 52.55 54.12 1m3s s ASP 80 Cb 0.00 -2.50 -0.04 0.00 -0.00 0.00 0.00 42.92 40.39 1m3s s ASP 80 CO 0.00 -1.29 0.04 -0.22 -0.00 0.00 0.00 175.17 173.70 1m3s s LEU 81 N -5.28 3.75 -0.09 1.23 2.96 -0.76 -0.19 118.68 120.30 1m3s s LEU 81 Ca 0.58 0.14 0.04 0.00 -0.22 0.00 0.00 54.13 54.68 1m3s s LEU 81 Cb -0.14 -1.91 -0.00 0.00 0.50 0.00 0.00 46.19 44.65 1m3s s LEU 81 CO 0.51 0.29 -0.24 -0.69 -1.32 0.00 0.00 176.35 174.90 1m3s s VAL 82 N -0.32 2.04 -0.23 1.68 1.01 0.91 -1.06 120.40 124.43 1m3s s VAL 82 Ca 0.08 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.05 1m3s s VAL 82 Cb -0.12 -1.76 0.04 0.00 0.00 0.00 0.00 36.38 34.54 1m3s s VAL 82 CO 0.02 0.56 -0.12 -0.63 0.00 0.00 0.00 175.10 174.92 1m3s s ILE 83 N 0.25 2.35 -0.20 2.22 1.01 0.02 -0.37 121.20 126.48 1m3s s ILE 83 Ca -0.16 -1.26 -0.01 0.00 0.00 0.00 0.00 60.65 59.23 1m3s s ILE 83 Cb -0.17 -2.21 0.01 0.00 0.01 0.00 0.00 42.46 40.10 1m3s s ILE 83 CO 0.08 0.20 -0.14 -0.63 0.00 0.00 0.00 174.94 174.45 1m3s s ILE 84 N 1.22 2.49 -0.32 2.92 1.01 0.14 -0.93 121.20 127.73 1m3s s ILE 84 Ca -0.02 -0.84 -0.13 0.00 0.00 0.00 0.00 60.65 59.66 1m3s s ILE 84 Cb -0.17 -2.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.17 1m3s s ILE 84 CO -0.07 0.47 0.25 -0.83 0.00 0.00 0.00 174.94 174.75 1m3s s GLY 85 N 1.34 1.95 -0.21 6.18 0.00 -0.86 -0.44 107.32 115.28 1m3s s GLY 85 Ca 0.04 -1.27 -0.05 0.00 0.00 0.00 0.00 44.72 43.44 1m3s s GLY 85 CO -0.09 0.77 0.39 -0.45 0.00 0.00 0.00 173.10 173.72 1m3s s SER 86 N 1.73 -0.00 0.08 1.64 0.15 0.07 -4.49 113.70 112.88 1m3s s SER 86 Ca 0.07 0.67 -0.27 0.00 0.70 0.00 0.00 55.95 57.12 1m3s s SER 86 Cb -0.17 1.19 -0.12 0.00 -1.71 0.00 0.00 66.02 65.21 1m3s s SER 86 CO 0.11 -0.26 1.43 1.23 1.20 0.00 0.00 173.24 176.95 1m3s h GLY 87 N 8.19 -1.17 2.00 9.45 0.00 -1.96 -2.92 103.07 116.66 1m3s h GLY 87 Ca -0.17 0.60 -0.11 0.00 0.00 0.00 0.00 47.33 47.66 1m3s h GLY 87 CO 0.18 -0.32 -0.52 1.48 0.00 0.00 0.00 176.54 177.36 1m3s h SER 88 N -0.62 0.00 -0.88 0.19 4.64 -1.97 -1.40 113.55 113.51 1m3s h SER 88 Ca -0.01 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.03 1m3s h SER 88 Cb 0.61 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.61 1m3s h SER 88 CO -0.19 0.52 -0.27 0.61 -0.87 0.00 0.00 176.83 176.63 1m3s n GLY 89 N 0.60 1.10 0.00 -0.77 0.00 -1.10 -4.65 105.19 100.37 1m3s n GLY 89 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1m3s n GLY 89 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1m3s n GLU 90 N -2.55 2.00 -2.14 1.61 -0.58 -1.26 -1.95 120.64 115.77 1m3s n GLU 90 Ca -0.14 -1.21 -0.42 0.00 -0.42 0.00 0.00 57.16 54.97 1m3s n GLU 90 Cb 0.47 -0.94 -0.03 0.00 -0.57 0.00 0.00 31.44 30.38 1m3s n GLU 90 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1m3s s THR 91 N -0.72 3.40 0.18 2.62 2.01 -1.26 -4.88 115.64 116.98 1m3s s THR 91 Ca 0.00 0.91 -0.13 0.00 0.31 0.00 0.00 61.69 62.77 1m3s s THR 91 Cb 0.00 -3.58 0.08 0.00 0.01 0.00 0.00 72.50 69.01 1m3s s THR 91 CO 0.00 0.03 1.82 0.50 -0.69 0.00 0.00 174.62 176.28 1m3s h LYS 92 N 7.46 0.63 -0.82 4.92 1.63 -2.00 -0.72 116.57 127.68 1m3s h LYS 92 Ca -0.41 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.34 1m3s h LYS 92 Cb 1.20 -0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 32.64 1m3s h LYS 92 CO 0.89 0.42 0.46 0.66 -3.45 0.00 0.00 179.45 178.43 1m3s h SER 93 N 0.65 1.01 0.57 4.20 4.64 -2.00 -2.39 113.55 120.24 1m3s h SER 93 Ca 0.21 -0.08 -0.18 0.00 -0.47 0.00 0.00 61.79 61.27 1m3s h SER 93 Cb 0.01 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.83 1m3s h SER 93 CO -0.09 0.81 -0.79 -0.07 -0.87 0.00 0.00 176.83 175.82 1m3s h LEU 94 N 1.15 0.21 -0.45 5.97 3.38 -1.70 -0.63 115.31 123.23 1m3s h LEU 94 Ca 0.29 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.14 1m3s h LEU 94 Cb 0.01 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1m3s h LEU 94 CO -0.05 0.92 0.22 0.40 0.09 0.00 0.00 178.44 180.02 1m3s h ILE 95 N 0.10 0.96 -0.32 1.22 2.04 -1.00 -0.04 117.51 120.48 1m3s h ILE 95 Ca -0.03 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 1m3s h ILE 95 Cb 1.39 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 1m3s h ILE 95 CO 0.12 0.08 0.19 -0.74 0.00 0.00 0.00 178.15 177.80 1m3s h HIS 96 N 0.44 0.43 -0.30 1.37 2.76 -1.20 -0.74 115.15 117.90 1m3s h HIS 96 Ca 0.19 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.35 1m3s h HIS 96 Cb 0.10 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 28.91 1m3s h HIS 96 CO -0.10 0.32 0.16 1.15 -1.30 0.00 0.00 177.93 178.16 1m3s h THR 97 N 0.41 1.13 -0.19 6.26 2.02 -0.82 0.51 112.91 122.23 1m3s h THR 97 Ca 0.11 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 1m3s h THR 97 Cb 0.02 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1m3s h THR 97 CO -0.02 0.14 0.11 0.00 0.37 0.00 0.00 175.52 176.11 1m3s h ALA 98 N 1.03 0.24 -0.51 6.16 0.00 -0.69 0.61 119.26 126.10 1m3s h ALA 98 Ca 0.11 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1m3s h ALA 98 Cb 0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1m3s h ALA 98 CO -0.02 -0.24 -0.09 0.00 0.00 0.00 0.00 179.25 178.91 1m3s h ALA 99 N 1.01 0.88 -0.23 0.00 0.00 -1.02 -0.28 119.26 119.63 1m3s h ALA 99 Ca 0.07 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1m3s h ALA 99 Cb 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1m3s h ALA 99 CO -0.01 0.64 -0.03 -0.22 0.00 0.00 0.00 179.25 179.63 1m3s h LYS 100 N 0.84 0.42 -0.34 0.00 1.63 -0.69 -1.36 116.57 117.07 1m3s h LYS 100 Ca 0.14 -0.15 0.07 0.00 -0.85 0.00 0.00 60.65 59.86 1m3s h LYS 100 Cb 0.61 -0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 32.15 1m3s h LYS 100 CO 0.04 0.63 -0.06 0.00 -3.45 0.00 0.00 179.45 176.61 1m3s h ALA 101 N 0.78 0.26 -0.64 5.00 0.00 -0.63 -2.25 119.26 121.78 1m3s h ALA 101 Ca 0.06 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1m3s h ALA 101 Cb 0.46 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1m3s h ALA 101 CO 0.02 -0.44 0.42 0.87 0.00 0.00 0.00 179.25 180.12 1m3s h LYS 102 N 0.03 0.83 0.00 0.00 1.79 -0.86 0.17 116.57 118.53 1m3s h LYS 102 Ca 0.17 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1m3s h LYS 102 Cb 0.25 -0.19 -0.00 0.00 -1.58 0.00 0.00 32.23 30.71 1m3s h LYS 102 CO -0.33 0.55 -0.01 0.66 -1.08 0.00 0.00 179.45 179.24 1m3s h SER 103 N 0.86 0.00 -0.17 0.86 4.64 -0.95 -0.16 113.55 118.63 1m3s h SER 103 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1m3s h SER 103 Cb -0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1m3s h SER 103 CO -0.06 0.01 0.00 0.18 -0.87 0.00 0.00 176.83 176.10 1m3s n LEU 104 N -3.71 2.14 -2.05 5.97 4.77 -0.74 -4.93 117.00 118.44 1m3s n LEU 104 Ca -0.03 -0.85 -0.15 0.00 -0.03 0.00 0.00 56.01 54.95 1m3s n LEU 104 Cb 0.10 -0.10 0.02 0.00 -2.33 0.00 0.00 43.42 41.10 1m3s n LEU 104 CO 0.27 0.42 -0.05 1.41 -1.33 0.00 0.00 177.39 178.11 1m3s n HIS 105 N 0.64 -1.20 -2.01 -1.77 8.25 -0.07 -3.73 115.22 115.33 1m3s n HIS 105 Ca 0.17 0.27 -0.30 0.00 -0.26 0.00 0.00 57.72 57.60 1m3s n HIS 105 Cb 0.42 -3.37 0.02 0.00 1.12 0.00 0.00 29.99 28.18 1m3s n HIS 105 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1m3s s GLY 106 N -2.68 1.63 -0.15 -1.41 0.00 -0.03 -0.93 107.32 103.76 1m3s s GLY 106 Ca 0.16 -0.23 -0.15 0.00 0.00 0.00 0.00 44.72 44.50 1m3s s GLY 106 CO 0.19 0.05 0.34 -0.42 0.00 0.00 0.00 173.10 173.27 1m3s s ILE 107 N -3.15 5.27 -0.16 0.90 1.01 0.73 -4.41 121.20 121.40 1m3s s ILE 107 Ca 0.55 0.66 -0.01 0.00 0.00 0.00 0.00 60.65 61.85 1m3s s ILE 107 Cb -0.11 -3.68 -0.01 0.00 0.01 0.00 0.00 42.46 38.67 1m3s s ILE 107 CO 0.52 0.38 -0.13 -0.69 0.00 0.00 0.00 174.94 175.02 1m3s s VAL 108 N 0.47 2.88 -0.20 2.92 1.01 -1.26 -0.06 120.40 126.15 1m3s s VAL 108 Ca 0.19 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.44 1m3s s VAL 108 Cb -0.14 -2.23 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 1m3s s VAL 108 CO 0.06 0.50 -0.06 0.00 0.00 0.00 0.00 175.10 175.60 1m3s s ALA 109 N 0.79 2.76 -0.14 5.51 0.00 0.50 0.17 121.76 131.35 1m3s s ALA 109 Ca -0.05 -1.12 -0.02 0.00 0.00 0.00 0.00 51.96 50.77 1m3s s ALA 109 Cb -0.15 -1.60 -0.02 0.00 0.00 0.00 0.00 23.12 21.35 1m3s s ALA 109 CO 0.01 -0.31 -0.09 0.00 0.00 0.00 0.00 175.76 175.37 1m3s s ALA 110 N 1.27 2.81 -0.38 0.00 0.00 0.20 -0.69 121.76 124.97 1m3s s ALA 110 Ca 0.03 -0.85 -0.08 0.00 0.00 0.00 0.00 51.96 51.05 1m3s s ALA 110 Cb -0.14 -1.37 0.06 0.00 0.00 0.00 0.00 23.12 21.66 1m3s s ALA 110 CO -0.03 0.24 0.20 -0.51 0.00 0.00 0.00 175.76 175.66 1m3s s LEU 111 N 0.32 4.79 0.14 0.00 1.02 0.41 -0.48 118.68 124.88 1m3s s LEU 111 Ca -0.07 -1.31 -0.16 0.00 0.02 0.00 0.00 54.13 52.62 1m3s s LEU 111 Cb -0.15 -1.95 0.03 0.00 0.02 0.00 0.00 46.19 44.14 1m3s s LEU 111 CO 0.04 -0.44 0.41 0.28 0.02 0.00 0.00 176.35 176.67 1m3s s THR 112 N 1.43 0.06 -0.01 5.49 -1.32 -0.95 -0.75 115.64 119.60 1m3s s THR 112 Ca 0.01 -0.68 0.11 0.00 -1.21 0.00 0.00 61.69 59.93 1m3s s THR 112 Cb -0.21 -1.29 -0.09 0.00 -1.51 0.00 0.00 72.50 69.39 1m3s s THR 112 CO 0.03 -0.28 1.32 0.40 -2.21 0.00 0.00 174.62 173.88 1m3s h ILE 113 N 2.35 1.31 -3.69 5.08 2.04 -1.38 -0.33 117.51 122.88 1m3s h ILE 113 Ca -0.33 -2.87 -0.66 0.00 1.00 0.00 0.00 64.86 62.00 1m3s h ILE 113 Cb 1.25 2.64 -0.39 0.00 -0.74 0.00 0.00 36.82 39.58 1m3s h ILE 113 CO 0.45 0.74 -0.72 0.21 0.00 0.00 0.00 178.15 178.84 1m3s s ASN 114 N -6.56 4.77 0.58 1.72 2.47 -1.25 -4.72 114.94 111.95 1m3s s ASN 114 Ca 0.02 -2.06 0.36 0.00 0.42 0.00 0.00 52.86 51.60 1m3s s ASN 114 Cb 0.09 -1.64 1.69 0.00 -1.45 0.00 0.00 41.25 39.94 1m3s s ASN 114 CO 0.79 -0.37 2.11 1.55 -3.72 0.00 0.00 177.10 177.46 1m3s h PRO 115 N 7.66 0.00 -0.15 0.43 0.13 -1.95 -1.65 132.00 136.48 1m3s h PRO 115 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1m3s h PRO 115 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1m3s h PRO 115 CO 0.53 0.03 0.00 0.39 -0.23 0.00 0.00 178.00 178.72 1m3s n GLU 116 N -3.20 1.84 -0.62 0.86 -0.58 -1.26 -3.44 120.64 114.24 1m3s n GLU 116 Ca -0.01 -1.25 -0.29 0.00 -0.42 0.00 0.00 57.16 55.19 1m3s n GLU 116 Cb 0.23 -1.43 0.22 0.00 -0.57 0.00 0.00 31.44 29.89 1m3s n GLU 116 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1m3s s SER 117 N -1.69 1.59 0.24 1.62 1.04 -0.62 -4.71 113.70 111.17 1m3s s SER 117 Ca 0.34 1.69 -0.04 0.00 0.48 0.00 0.00 55.95 58.42 1m3s s SER 117 Cb 0.19 -2.36 0.43 0.00 0.10 0.00 0.00 66.02 64.37 1m3s s SER 117 CO 0.29 -3.85 1.77 0.28 0.98 0.00 0.00 173.24 172.70 1m3s h SER 118 N -2.38 0.46 -0.12 7.02 0.02 -1.86 -1.13 113.55 115.55 1m3s h SER 118 Ca -0.56 0.08 -0.12 0.00 -0.84 0.00 0.00 61.79 60.35 1m3s h SER 118 Cb 1.31 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.87 1m3s h SER 118 CO 0.48 0.23 -0.40 0.40 -1.14 0.00 0.00 176.83 176.40 1m3s h ILE 119 N 0.59 1.37 -0.74 3.27 2.04 -1.75 -3.21 117.51 119.08 1m3s h ILE 119 Ca 0.40 -1.70 0.04 0.00 1.00 0.00 0.00 64.86 64.60 1m3s h ILE 119 Cb 0.51 2.11 -0.04 0.00 -0.74 0.00 0.00 36.82 38.66 1m3s h ILE 119 CO -0.32 0.51 0.49 1.23 0.00 0.00 0.00 178.15 180.05 1m3s h GLY 120 N 0.08 1.02 2.00 5.37 0.00 -1.64 -2.26 103.07 107.64 1m3s h GLY 120 Ca -0.01 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 46.92 1m3s h GLY 120 CO 0.08 0.28 -0.27 0.07 0.00 0.00 0.00 176.54 176.71 1m3s h LYS 121 N 0.86 0.00 0.00 4.80 -0.00 -1.24 -2.35 116.57 118.65 1m3s h LYS 121 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.95 1m3s h LYS 121 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.34 1m3s h LYS 121 CO -0.09 0.27 -0.13 1.04 -0.00 0.00 0.00 179.45 180.54 1m3s n GLN 122 N -3.60 0.14 -2.85 0.07 1.13 -0.87 -4.94 117.38 106.47 1m3s n GLN 122 Ca -0.01 0.10 -0.38 0.00 -1.94 0.00 0.00 57.00 54.77 1m3s n GLN 122 Cb 0.40 -1.65 -0.06 0.00 0.11 0.00 0.00 30.24 29.04 1m3s n GLN 122 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1m3s s ALA 123 N -3.06 3.32 0.11 -1.58 0.00 -0.89 -4.79 121.76 114.87 1m3s s ALA 123 Ca 0.11 0.48 0.09 0.00 0.00 0.00 0.00 51.96 52.64 1m3s s ALA 123 Cb 0.15 -3.10 -0.09 0.00 0.00 0.00 0.00 23.12 20.08 1m3s s ALA 123 CO 0.60 0.23 1.35 -0.44 0.00 0.00 0.00 175.76 177.49 1m3s h ASP 124 N 3.73 0.00 -3.56 0.00 5.19 -0.60 -3.46 116.42 117.72 1m3s h ASP 124 Ca -0.46 0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 55.66 1m3s h ASP 124 Cb 1.20 0.00 -0.33 0.00 0.18 0.00 0.00 39.33 40.38 1m3s h ASP 124 CO 0.66 0.88 -0.73 -0.22 -3.12 0.00 0.00 179.24 176.72 1m3s s LEU 125 N -6.80 1.23 -0.10 1.55 2.96 -0.94 -5.02 118.68 111.55 1m3s s LEU 125 Ca 0.01 0.03 0.04 0.00 -0.22 0.00 0.00 54.13 53.99 1m3s s LEU 125 Cb 0.10 -0.06 -0.00 0.00 0.50 0.00 0.00 46.19 46.73 1m3s s LEU 125 CO 0.80 -0.11 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.86 1m3s s ILE 126 N 0.90 2.16 -0.45 6.68 1.01 -1.26 -0.63 121.20 129.61 1m3s s ILE 126 Ca -0.07 -0.99 -0.05 0.00 0.00 0.00 0.00 60.65 59.54 1m3s s ILE 126 Cb -0.11 -1.83 0.12 0.00 0.01 0.00 0.00 42.46 40.65 1m3s s ILE 126 CO -0.02 0.56 0.27 -0.63 0.00 0.00 0.00 174.94 175.11 1m3s s ILE 127 N 0.30 3.63 -0.09 2.92 1.01 0.37 -4.88 121.20 124.46 1m3s s ILE 127 Ca -0.17 -2.04 -0.30 0.00 0.00 0.00 0.00 60.65 58.15 1m3s s ILE 127 Cb -0.17 -3.45 -0.03 0.00 0.01 0.00 0.00 42.46 38.82 1m3s s ILE 127 CO 0.08 -0.74 1.22 -0.60 0.00 0.00 0.00 174.94 174.91 1m3s s ARG 128 N 1.12 4.31 0.22 2.79 3.52 -1.26 -2.24 118.95 127.42 1m3s s ARG 128 Ca 0.08 1.67 0.06 0.00 -0.13 0.00 0.00 55.73 57.41 1m3s s ARG 128 Cb -0.24 -3.63 -0.03 0.00 -1.56 0.00 0.00 34.95 29.49 1m3s s ARG 128 CO -0.03 -0.54 0.23 -1.64 -0.81 0.00 0.00 175.30 172.51 1m3s s MET 129 N 2.66 3.10 0.70 5.12 -1.94 -0.13 -4.62 119.30 124.17 1m3s s MET 129 Ca 0.55 -0.90 -0.11 0.00 -1.71 0.00 0.00 55.69 53.52 1m3s s MET 129 Cb -0.24 -2.70 0.01 0.00 2.01 0.00 0.00 34.83 33.91 1m3s s MET 129 CO 0.19 0.44 1.06 -1.25 -0.01 0.00 0.00 175.02 175.45 1m3s s PRO 130 N -3.66 2.95 0.00 2.03 0.04 -1.26 -4.36 135.00 130.73 1m3s s PRO 130 Ca 0.33 0.85 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1m3s s PRO 130 Cb -0.09 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1m3s s PRO 130 CO 0.26 -1.06 0.00 0.41 0.04 0.00 0.00 177.00 176.65 1m3s n GLY 131 N -2.21 0.59 3.76 0.56 0.00 -1.26 -4.86 105.19 101.78 1m3s n GLY 131 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 1m3s n GLY 131 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1m3s s SER 132 N -1.02 5.27 0.54 1.61 1.04 -1.26 -4.84 113.70 115.04 1m3s s SER 132 Ca 0.00 2.18 0.36 0.00 0.48 0.00 0.00 55.95 58.97 1m3s s SER 132 Cb 0.00 -2.58 1.54 0.00 0.10 0.00 0.00 66.02 65.09 1m3s s SER 132 CO 0.00 -1.53 1.82 -0.65 0.98 0.00 0.00 173.24 173.86 1m3s h PRO 133 N 0.62 0.00 0.45 4.02 0.11 -1.99 -0.81 132.00 134.39 1m3s h PRO 133 Ca -0.49 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1m3s h PRO 133 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1m3s h PRO 133 CO 0.55 0.00 -0.22 0.87 -0.21 0.00 0.00 178.00 178.99 1m3s h LYS 134 N 0.00 -0.58 -0.27 1.05 6.56 -1.99 -1.05 116.57 120.29 1m3s h LYS 134 Ca 0.54 0.04 0.08 0.00 -1.06 0.00 0.00 60.65 60.25 1m3s h LYS 134 Cb 2.18 0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 33.96 1m3s h LYS 134 CO -0.01 -0.28 0.32 -0.44 -2.06 0.00 0.00 179.45 176.99 1m3s h ASP 135 N -1.00 0.00 0.14 0.86 3.32 -1.55 -1.31 116.42 116.88 1m3s h ASP 135 Ca -0.06 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1m3s h ASP 135 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1m3s h ASP 135 CO 0.10 0.00 -0.07 1.56 -1.72 0.00 0.00 179.24 179.11 1m3s h GLN 136 N 0.00 -0.18 0.00 3.56 4.20 -1.09 0.71 115.11 122.32 1m3s h GLN 136 Ca 0.13 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.81 1m3s h GLN 136 Cb 0.77 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 1m3s h GLN 136 CO -0.00 -0.12 -0.20 0.66 -0.67 0.00 0.00 178.83 178.50 1m3s h SER 137 N -0.89 0.00 -0.42 1.46 4.64 -0.99 -1.58 113.55 115.77 1m3s h SER 137 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1m3s h SER 137 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1m3s h SER 137 CO 0.03 0.20 0.00 0.59 -0.87 0.00 0.00 176.83 176.78 1m3s n ASN 138 N -3.72 2.39 0.00 4.97 3.02 -0.51 -4.93 115.26 116.48 1m3s n ASN 138 Ca -0.01 -2.04 0.00 0.00 -0.03 0.00 0.00 54.58 52.50 1m3s n ASN 138 Cb 0.31 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 1m3s n ASN 138 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1m3s n GLY 139 N 1.12 0.37 0.05 7.41 0.00 -0.59 -4.98 105.19 108.56 1m3s n GLY 139 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.14 1m3s n GLY 139 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1m3s h SER 140 N 0.00 0.00 -3.35 1.61 0.02 -0.46 -3.45 113.55 107.91 1m3s h SER 140 Ca 0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 1m3s h SER 140 Cb 0.00 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.48 1m3s h SER 140 CO 0.00 0.55 0.02 -0.47 -1.14 0.00 0.00 176.83 175.79 1m3s s TYR 141 N -1.80 3.54 -0.07 3.45 5.04 0.21 -4.97 117.35 122.73 1m3s s TYR 141 Ca -0.07 1.11 -0.04 0.00 -2.44 0.00 0.00 57.07 55.63 1m3s s TYR 141 Cb 0.01 -2.72 0.04 0.00 0.35 0.00 0.00 41.96 39.63 1m3s s TYR 141 CO 0.10 0.09 0.17 0.21 -1.34 0.00 0.00 175.55 174.79 1m3s s LYS 142 N 0.82 0.13 -0.02 4.97 2.20 -1.26 -4.39 119.74 122.19 1m3s s LYS 142 Ca 0.33 0.39 0.05 0.00 -0.36 0.00 0.00 55.97 56.38 1m3s s LYS 142 Cb -0.17 -0.12 -0.01 0.00 -1.51 0.00 0.00 37.83 36.02 1m3s s LYS 142 CO 0.15 -0.14 -0.17 -0.08 -0.36 0.00 0.00 175.35 174.75 1m3s s THR 143 N 1.03 1.34 -2.73 3.43 -1.32 -1.26 -4.95 115.64 111.19 1m3s s THR 143 Ca -0.08 -0.70 0.25 0.00 -1.21 0.00 0.00 61.69 59.94 1m3s s THR 143 Cb -0.10 -1.13 0.34 0.00 -1.51 0.00 0.00 72.50 70.10 1m3s s THR 143 CO -0.06 0.38 1.43 2.30 -2.21 0.00 0.00 174.62 176.47 1m3s n ILE 144 N 2.86 0.10 -3.60 5.08 -5.35 -1.26 -4.97 119.36 112.21 1m3s n ILE 144 Ca -0.16 -0.46 -0.27 0.00 -0.27 0.00 0.00 62.75 61.59 1m3s n ILE 144 Cb 0.54 1.07 -0.03 0.00 -1.74 0.00 0.00 39.64 39.47 1m3s n ILE 144 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1m3s s GLN 145 N -1.90 3.54 0.83 6.28 -0.21 -1.26 -5.07 119.66 121.87 1m3s s GLN 145 Ca 0.33 -0.27 -0.10 0.00 0.02 0.00 0.00 55.36 55.33 1m3s s GLN 145 Cb 0.20 -2.78 0.10 0.00 1.00 0.00 0.00 33.01 31.53 1m3s s GLN 145 CO 0.31 0.34 1.11 -1.25 -2.12 0.00 0.00 175.29 173.68 1m3s s PRO 146 N -3.46 1.72 2.32 2.91 0.04 -1.26 -4.81 135.00 132.46 1m3s s PRO 146 Ca 0.40 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.76 1m3s s PRO 146 Cb -0.11 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1m3s s PRO 146 CO 0.30 -2.07 0.00 -1.33 0.04 0.00 0.00 177.00 173.93 1m3s n MET 147 N -3.83 0.00 -1.16 4.56 2.81 -1.26 -1.81 117.12 116.43 1m3s n MET 147 Ca 0.10 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.72 1m3s n MET 147 Cb 0.53 0.00 0.08 0.00 -0.71 0.00 0.00 33.22 33.12 1m3s n MET 147 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1m3s n GLY 148 N 0.00 5.07 0.12 3.03 0.00 -1.26 -4.68 105.19 107.47 1m3s n GLY 148 Ca 0.00 -1.72 -0.10 0.00 0.00 0.00 0.00 46.02 44.20 1m3s n GLY 148 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1m3s h SER 149 N 1.63 0.27 -0.67 1.61 0.02 -1.67 -1.22 113.55 113.52 1m3s h SER 149 Ca 0.52 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 61.35 1m3s h SER 149 Cb 1.20 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.64 1m3s h SER 149 CO 1.26 0.28 0.29 0.25 -1.14 0.00 0.00 176.83 177.76 1m3s h LEU 150 N 0.25 0.90 -0.85 5.07 5.85 -1.83 -1.23 115.31 123.46 1m3s h LEU 150 Ca 0.08 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.68 1m3s h LEU 150 Cb 0.06 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 1m3s h LEU 150 CO -0.01 0.80 0.54 0.15 -0.34 0.00 0.00 178.44 179.58 1m3s h PHE 151 N 0.93 1.01 -0.41 1.25 3.57 -1.81 -1.06 116.94 120.42 1m3s h PHE 151 Ca 0.23 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.64 1m3s h PHE 151 Cb 0.17 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 1m3s h PHE 151 CO 0.01 0.57 -0.20 0.93 -2.23 0.00 0.00 178.31 177.39 1m3s h GLU 152 N 1.04 0.80 -0.44 1.11 5.08 -0.77 -0.21 114.58 121.19 1m3s h GLU 152 Ca 0.34 -0.31 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 1m3s h GLU 152 Cb 0.03 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1m3s h GLU 152 CO -0.12 0.93 0.04 1.96 -1.00 0.00 0.00 179.01 180.82 1m3s h GLN 153 N 0.70 0.75 -0.65 2.33 4.20 -0.97 -1.94 115.11 119.53 1m3s h GLN 153 Ca 0.10 -0.22 -0.05 0.00 0.06 0.00 0.00 58.65 58.55 1m3s h GLN 153 Cb 0.71 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.38 1m3s h GLN 153 CO 0.05 0.79 0.23 1.15 -0.67 0.00 0.00 178.83 180.39 1m3s h THR 154 N 0.60 1.25 -0.26 -0.54 2.02 -0.94 -1.94 112.91 113.11 1m3s h THR 154 Ca 0.13 -0.81 0.06 0.00 0.77 0.00 0.00 66.41 66.55 1m3s h THR 154 Cb 0.43 0.54 -0.06 0.00 -1.74 0.00 0.00 68.15 67.32 1m3s h THR 154 CO 0.01 0.32 -0.11 -0.07 0.37 0.00 0.00 175.52 176.04 1m3s h LEU 155 N 0.94 -0.37 0.13 2.58 3.38 -0.78 0.23 115.31 121.42 1m3s h LEU 155 Ca 0.21 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.28 1m3s h LEU 155 Cb 0.26 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1m3s h LEU 155 CO -0.01 -0.14 -0.08 0.25 0.09 0.00 0.00 178.44 178.55 1m3s h LEU 156 N -0.06 -0.21 -0.62 1.67 5.85 -1.12 0.31 115.31 121.13 1m3s h LEU 156 Ca 0.13 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.79 1m3s h LEU 156 Cb 0.27 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1m3s h LEU 156 CO -0.30 -0.13 0.08 -0.07 -0.34 0.00 0.00 178.44 177.67 1m3s h LEU 157 N -0.21 1.00 -0.36 2.25 4.07 -1.03 -0.29 115.31 120.74 1m3s h LEU 157 Ca -0.01 -0.27 -0.02 0.00 0.08 0.00 0.00 57.88 57.66 1m3s h LEU 157 Cb 0.18 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.63 1m3s h LEU 157 CO 0.01 1.02 0.16 0.15 -1.08 0.00 0.00 178.44 178.70 1m3s h PHE 158 N 0.94 0.52 -0.76 1.13 3.57 -0.23 -0.13 116.94 121.99 1m3s h PHE 158 Ca 0.18 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 1m3s h PHE 158 Cb 0.46 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 1m3s h PHE 158 CO 0.03 0.46 0.45 1.88 -2.23 0.00 0.00 178.31 178.91 1m3s h TYR 159 N 0.44 1.00 0.00 0.41 0.99 -0.07 -1.14 116.97 118.60 1m3s h TYR 159 Ca 0.12 -0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.80 1m3s h TYR 159 Cb 0.14 -0.33 -0.01 0.00 1.00 0.00 0.00 36.73 37.53 1m3s h TYR 159 CO -0.01 0.67 -0.21 -0.44 -0.00 0.00 0.00 178.16 178.17 1m3s h ASP 160 N 1.04 0.00 -0.09 3.88 3.45 -0.80 -1.94 116.42 121.96 1m3s h ASP 160 Ca 0.27 0.00 -0.14 0.00 0.43 0.00 0.00 57.03 57.59 1m3s h ASP 160 Cb -0.03 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 38.74 1m3s h ASP 160 CO -0.05 0.21 -0.51 0.00 -1.57 0.00 0.00 179.24 177.32 1m3s h ALA 161 N 1.79 0.18 -0.95 3.45 0.00 -0.54 -2.83 119.26 120.36 1m3s h ALA 161 Ca -0.00 -0.51 0.10 0.00 0.00 0.00 0.00 54.91 54.49 1m3s h ALA 161 Cb 0.49 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 1m3s h ALA 161 CO 0.03 0.37 0.61 0.28 0.00 0.00 0.00 179.25 180.54 1m3s h VAL 162 N 0.08 0.97 -0.43 0.00 2.07 -0.91 -1.67 116.25 116.37 1m3s h VAL 162 Ca -0.04 -0.33 0.06 0.00 0.82 0.00 0.00 66.70 67.20 1m3s h VAL 162 Cb 1.16 -0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 1m3s h VAL 162 CO 0.11 0.18 0.14 0.40 0.02 0.00 0.00 177.57 178.41 1m3s h ILE 163 N 0.97 0.85 -0.89 4.57 1.08 -1.25 0.94 117.51 123.78 1m3s h ILE 163 Ca 0.44 -0.10 0.01 0.00 -0.39 0.00 0.00 64.86 64.82 1m3s h ILE 163 Cb 0.40 0.52 -0.05 0.00 -3.07 0.00 0.00 36.82 34.62 1m3s h ILE 163 CO -0.20 0.06 0.59 -0.07 -0.69 0.00 0.00 178.15 177.83 1m3s h LEU 164 N 0.30 1.00 -0.25 1.44 3.38 -1.09 0.83 115.31 120.92 1m3s h LEU 164 Ca 0.20 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 58.01 1m3s h LEU 164 Cb 0.20 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1m3s h LEU 164 CO -0.21 0.72 -0.37 0.50 0.09 0.00 0.00 178.44 179.16 1m3s h LYS 165 N 1.18 0.70 -0.28 1.13 1.63 -0.59 -0.61 116.57 119.74 1m3s h LYS 165 Ca 0.33 -0.42 0.03 0.00 -0.85 0.00 0.00 60.65 59.74 1m3s h LYS 165 Cb -0.10 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.53 1m3s h LYS 165 CO -0.08 1.04 0.11 -0.07 -3.45 0.00 0.00 179.45 176.99 1m3s h LEU 166 N 0.43 0.13 -1.16 5.20 3.38 -0.55 -0.21 115.31 122.53 1m3s h LEU 166 Ca 0.03 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1m3s h LEU 166 Cb 0.96 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.68 1m3s h LEU 166 CO 0.09 0.11 0.50 0.24 0.09 0.00 0.00 178.44 179.47 1m3s h MET 167 N 0.24 1.07 0.78 1.13 2.86 -0.61 -0.66 114.93 119.74 1m3s h MET 167 Ca 0.12 -0.08 -0.04 0.00 -2.06 0.00 0.00 59.70 57.64 1m3s h MET 167 Cb 0.08 -0.23 0.01 0.00 0.06 0.00 0.00 31.60 31.52 1m3s h MET 167 CO -0.12 0.73 -0.38 1.49 1.06 0.00 0.00 176.91 179.70 1m3s h GLU 168 N 1.09 -1.02 -0.33 1.72 4.81 -0.67 -2.65 114.58 117.54 1m3s h GLU 168 Ca 0.29 0.07 0.10 0.00 -0.13 0.00 0.00 59.36 59.68 1m3s h GLU 168 Cb -0.08 0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1m3s h GLU 168 CO -0.06 -0.67 0.26 0.87 -0.73 0.00 0.00 179.01 178.68 1m3s h LYS 169 N -1.07 0.00 0.00 1.92 1.79 -0.51 -3.42 116.57 115.28 1m3s h LYS 169 Ca -0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 1m3s h LYS 169 Cb 0.81 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.46 1m3s h LYS 169 CO 0.18 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 180.18 1m3s n LYS 170 N -4.24 3.53 -0.06 3.15 5.02 -0.30 -5.04 118.16 120.21 1m3s n LYS 170 Ca 0.05 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.43 1m3s n LYS 170 Cb 0.43 0.00 0.12 0.00 -0.02 0.00 0.00 35.03 35.56 1m3s n LYS 170 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1m3s n GLY 171 N 5.00 4.65 3.92 0.72 0.00 -1.25 -4.94 105.19 113.30 1m3s n GLY 171 Ca 0.00 -1.01 -0.26 0.00 0.00 0.00 0.00 46.02 44.75 1m3s n GLY 171 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1m3s s LEU 172 N -2.66 3.22 0.00 0.99 1.43 -1.24 -5.01 118.68 115.42 1m3s s LEU 172 Ca 0.28 0.61 0.00 0.00 -1.03 0.00 0.00 54.13 53.99 1m3s s LEU 172 Cb 0.25 -3.42 0.00 0.00 0.03 0.00 0.00 46.19 43.05 1m3s s LEU 172 CO 0.03 -1.10 0.00 0.41 0.23 0.00 0.00 176.35 175.92 1m3s n THR 176 N -2.57 0.00 1.08 5.49 -1.04 -1.26 -4.72 114.28 111.27 1m3s n THR 176 Ca 0.05 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.08 1m3s n THR 176 Cb 0.58 0.00 0.08 0.00 -1.82 0.00 0.00 70.33 69.17 1m3s n THR 176 CO 0.00 0.00 0.00 1.15 -0.64 0.00 0.00 175.07 175.58 1m3s n MET 177 N 0.00 1.60 -0.74 -2.82 3.85 -1.26 -4.59 117.12 113.16 1m3s n MET 177 Ca 0.00 -0.65 -0.32 0.00 -1.00 0.00 0.00 57.70 55.73 1m3s n MET 177 Cb 0.00 -1.36 -0.05 0.00 -1.05 0.00 0.00 33.22 30.75 1m3s n MET 177 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 1m3s n PHE 178 N 0.06 1.07 -0.10 3.17 3.72 -1.26 -4.24 117.46 119.87 1m3s n PHE 178 Ca 0.06 -1.37 0.10 0.00 -0.05 0.00 0.00 57.45 56.18 1m3s n PHE 178 Cb 0.28 -1.33 0.29 0.00 -0.94 0.00 0.00 39.48 37.78 1m3s n PHE 178 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1m3s n THR 179 N 5.64 1.05 -0.12 4.37 -2.24 -1.26 -4.34 114.28 117.39 1m3s n THR 179 Ca 0.40 -0.90 0.09 0.00 -2.27 0.00 0.00 64.05 61.38 1m3s n THR 179 Cb 0.28 0.33 0.29 0.00 -2.10 0.00 0.00 70.33 69.13 1m3s n THR 179 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1m3s n HIS 180 N 1.25 1.01 -2.60 4.78 -0.00 -1.26 -4.96 115.22 113.44 1m3s n HIS 180 Ca 0.22 -0.46 -0.38 0.00 -0.00 0.00 0.00 57.72 57.10 1m3s n HIS 180 Cb 0.61 -0.08 -0.05 0.00 -0.00 0.00 0.00 29.99 30.47 1m3s n HIS 180 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1m3s s HIS 181 N -1.39 3.57 0.51 4.41 3.76 -1.26 -4.65 115.29 120.24 1m3s s HIS 181 Ca 0.43 1.73 -0.22 0.00 -0.15 0.00 0.00 55.06 56.86 1m3s s HIS 181 Cb 0.24 -3.12 -0.08 0.00 1.11 0.00 0.00 32.58 30.74 1m3s s HIS 181 CO 0.26 -0.27 1.01 0.00 -0.85 0.00 0.00 174.74 174.89 1m3s n ALA 182 N 0.72 0.31 -0.20 -1.40 0.00 -1.26 -4.95 120.51 113.73 1m3s n ALA 182 Ca 0.01 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1m3s n ALA 182 Cb 0.48 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.81 1m3s n ALA 182 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1m3s n ASN 183 N -0.12 0.51 -4.92 0.00 0.23 -1.26 -5.08 115.26 104.62 1m3s n ASN 183 Ca 0.11 -0.81 -0.31 0.00 -0.53 0.00 0.00 54.58 53.04 1m3s n ASN 183 Cb 0.43 0.21 -0.04 0.00 -2.08 0.00 0.00 39.78 38.30 1m3s n ASN 183 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1m3s s LEU 184 N -0.42 4.35 0.00 -4.53 1.43 -1.26 -5.33 118.68 112.91 1m3s s LEU 184 Ca 0.00 0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 1m3s s LEU 184 Cb 0.00 -2.94 0.00 0.00 0.03 0.00 0.00 46.19 43.28 1m3s s LEU 184 CO 0.00 0.17 0.00 1.21 0.23 0.00 0.00 176.35 177.96