#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m3s s MET 1 N 0.00 1.38 0.65 1.61 0.00 -1.26 -5.15 119.30 116.53 1m3s s MET 1 Ca 0.00 -0.68 -0.18 0.00 0.00 0.00 0.00 55.69 54.83 1m3s s MET 1 Cb 0.00 0.52 -0.01 0.00 0.00 0.00 0.00 34.83 35.34 1m3s s MET 1 CO 0.00 -0.62 1.25 0.15 0.00 0.00 0.00 175.02 175.80 1m3s s LYS 2 N -3.61 2.58 0.18 3.16 -0.14 -1.26 -4.86 119.74 115.80 1m3s s LYS 2 Ca 0.08 1.93 -0.13 0.00 -1.36 0.00 0.00 55.97 56.50 1m3s s LYS 2 Cb -0.03 -1.87 0.16 0.00 -1.68 0.00 0.00 37.83 34.42 1m3s s LYS 2 CO -0.01 -1.54 1.77 1.15 -0.76 0.00 0.00 175.35 175.96 1m3s h THR 3 N 0.46 0.89 -0.11 2.17 2.02 -2.02 -1.12 112.91 115.21 1m3s h THR 3 Ca -0.50 -0.15 -0.04 0.00 0.77 0.00 0.00 66.41 66.49 1m3s h THR 3 Cb 1.32 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 1m3s h THR 3 CO 0.53 0.08 -0.12 0.71 0.37 0.00 0.00 175.52 177.09 1m3s h THR 4 N 0.44 1.15 -0.38 3.16 1.35 -2.00 -1.84 112.91 114.78 1m3s h THR 4 Ca 0.24 -0.67 -0.14 0.00 -0.55 0.00 0.00 66.41 65.29 1m3s h THR 4 Cb 0.20 1.21 -0.01 0.00 -1.73 0.00 0.00 68.15 67.82 1m3s h THR 4 CO -0.20 0.20 -0.29 -0.33 -0.25 0.00 0.00 175.52 174.65 1m3s h GLU 5 N 0.16 0.88 -0.95 4.72 5.08 -1.62 -2.75 114.58 120.10 1m3s h GLU 5 Ca 0.03 -0.43 0.09 0.00 -1.00 0.00 0.00 59.36 58.05 1m3s h GLU 5 Cb 0.32 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.50 1m3s h GLU 5 CO 0.02 1.08 0.61 1.88 -1.00 0.00 0.00 179.01 181.60 1m3s h TYR 6 N 0.69 1.07 -0.82 4.33 -1.99 -0.47 -1.37 116.97 118.42 1m3s h TYR 6 Ca 0.07 0.03 0.08 0.00 2.00 0.00 0.00 58.73 60.91 1m3s h TYR 6 Cb 0.87 -0.35 -0.07 0.00 2.00 0.00 0.00 36.73 39.19 1m3s h TYR 6 CO 0.06 0.51 0.48 0.28 -0.00 0.00 0.00 178.16 179.49 1m3s h VAL 7 N 1.01 0.96 -0.42 -2.88 2.07 -1.10 -1.35 116.25 114.53 1m3s h VAL 7 Ca 0.43 -0.29 -0.12 0.00 0.82 0.00 0.00 66.70 67.55 1m3s h VAL 7 Cb 0.33 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1m3s h VAL 7 CO -0.19 0.15 -0.22 0.00 0.02 0.00 0.00 177.57 177.33 1m3s h ALA 8 N 1.43 0.82 -0.66 1.67 0.00 -1.15 -0.84 119.26 120.52 1m3s h ALA 8 Ca 0.38 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1m3s h ALA 8 Cb 0.28 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1m3s h ALA 8 CO -0.22 0.65 0.09 1.49 0.00 0.00 0.00 179.25 181.26 1m3s h GLU 9 N 0.74 1.11 0.06 0.00 4.57 -0.71 0.76 114.58 121.10 1m3s h GLU 9 Ca 0.10 -0.31 -0.00 0.00 -1.18 0.00 0.00 59.36 57.97 1m3s h GLU 9 Cb 0.75 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 1m3s h GLU 9 CO 0.06 1.03 -0.03 0.82 -1.18 0.00 0.00 179.01 179.71 1m3s h ILE 10 N 1.03 0.94 -0.73 2.32 2.04 -0.99 -0.02 117.51 122.10 1m3s h ILE 10 Ca 0.20 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.09 1m3s h ILE 10 Cb 0.47 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 1m3s h ILE 10 CO 0.02 0.00 0.48 -0.07 0.00 0.00 0.00 178.15 178.58 1m3s h LEU 11 N -0.08 0.77 -0.78 1.44 3.38 -0.88 0.28 115.31 119.44 1m3s h LEU 11 Ca -0.01 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 1m3s h LEU 11 Cb 0.06 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1m3s h LEU 11 CO 0.01 0.54 -0.49 0.78 0.09 0.00 0.00 178.44 179.37 1m3s h ASN 12 N 0.90 0.32 -0.40 -0.43 2.35 -0.49 0.14 115.58 117.97 1m3s h ASN 12 Ca 0.29 -0.15 -0.12 0.00 -0.55 0.00 0.00 56.30 55.77 1m3s h ASN 12 Cb 0.04 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 1m3s h ASN 12 CO -0.08 0.76 -0.21 -0.33 -1.65 0.00 0.00 177.43 175.91 1m3s h GLU 13 N 0.24 0.85 -0.54 0.81 5.08 0.90 -1.24 114.58 120.67 1m3s h GLU 13 Ca 0.01 -0.38 -0.04 0.00 -1.00 0.00 0.00 59.36 57.95 1m3s h GLU 13 Cb 0.94 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 1m3s h GLU 13 CO 0.08 1.02 0.17 -0.07 -1.00 0.00 0.00 179.01 179.21 1m3s h LEU 14 N 0.66 0.79 -0.04 1.33 3.38 -0.35 0.15 115.31 121.22 1m3s h LEU 14 Ca 0.09 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1m3s h LEU 14 Cb 0.78 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1m3s h LEU 14 CO 0.06 0.78 -0.00 -0.74 0.09 0.00 0.00 178.44 178.63 1m3s h HIS 15 N 0.76 0.09 -0.55 1.13 2.76 -0.66 0.23 115.15 118.90 1m3s h HIS 15 Ca 0.18 -0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.29 1m3s h HIS 15 Cb 0.27 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.19 1m3s h HIS 15 CO 0.02 0.39 0.18 -0.97 -1.30 0.00 0.00 177.93 176.25 1m3s h ASN 16 N -0.24 0.75 0.06 3.26 -0.00 -1.12 -2.66 115.58 115.63 1m3s h ASN 16 Ca 0.01 -0.11 -0.17 0.00 -0.00 0.00 0.00 56.30 56.03 1m3s h ASN 16 Cb 0.36 -0.19 0.02 0.00 -0.00 0.00 0.00 38.32 38.50 1m3s h ASN 16 CO 0.00 0.71 -0.69 0.77 -0.00 0.00 0.00 177.43 178.22 1m3s h SER 17 N 0.80 0.51 -0.20 1.15 4.64 -0.39 -3.30 113.55 116.75 1m3s h SER 17 Ca 0.19 -0.84 -0.09 0.00 -0.47 0.00 0.00 61.79 60.58 1m3s h SER 17 Cb 0.22 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 1m3s h SER 17 CO -0.01 1.29 -0.15 0.00 -0.87 0.00 0.00 176.83 177.09 1m3s h ALA 18 N 0.23 1.11 0.00 5.18 0.00 -0.51 -2.49 119.26 122.77 1m3s h ALA 18 Ca -0.10 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1m3s h ALA 18 Cb 1.44 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1m3s h ALA 18 CO 0.13 0.55 0.00 0.00 0.00 0.00 0.00 179.25 179.94 1m3s n ALA 19 N -2.48 1.37 -0.10 0.00 0.00 -1.01 -1.48 120.51 116.82 1m3s n ALA 19 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1m3s n ALA 19 Cb 0.36 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.81 1m3s n ALA 19 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1m3s n TYR 20 N 0.27 0.00 -3.13 0.00 4.02 -0.94 -5.04 117.16 112.34 1m3s n TYR 20 Ca 0.00 -0.22 -0.39 0.00 -0.01 0.00 0.00 57.90 57.27 1m3s n TYR 20 Cb 0.05 -0.02 -0.06 0.00 -0.02 0.00 0.00 39.34 39.29 1m3s n TYR 20 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1m3s s ILE 21 N -0.45 4.71 0.02 -0.72 1.01 -0.55 -4.87 121.20 120.36 1m3s s ILE 21 Ca 0.00 1.42 -0.18 0.00 0.00 0.00 0.00 60.65 61.89 1m3s s ILE 21 Cb 0.00 -4.00 -0.06 0.00 0.01 0.00 0.00 42.46 38.41 1m3s s ILE 21 CO 0.00 0.47 0.50 -0.44 0.00 0.00 0.00 174.94 175.47 1m3s s SER 22 N -0.61 6.93 0.04 3.58 0.01 -1.26 -5.02 113.70 117.36 1m3s s SER 22 Ca 0.33 1.10 0.13 0.00 1.31 0.00 0.00 55.95 58.82 1m3s s SER 22 Cb -0.20 -2.31 -0.17 0.00 0.21 0.00 0.00 66.02 63.54 1m3s s SER 22 CO 0.21 0.25 0.89 -1.13 0.41 0.00 0.00 173.24 173.87 1m3s h ASN 23 N 4.91 0.00 -0.78 2.44 -1.24 -2.00 -3.33 115.58 115.58 1m3s h ASN 23 Ca -0.49 0.00 0.12 0.00 0.71 0.00 0.00 56.30 56.63 1m3s h ASN 23 Cb 1.21 0.00 -0.08 0.00 0.73 0.00 0.00 38.32 40.18 1m3s h ASN 23 CO 0.64 0.84 0.39 -0.33 -1.29 0.00 0.00 177.43 177.68 1m3s h GLU 24 N 0.00 0.60 -0.15 6.67 3.07 -2.00 -2.27 114.58 120.49 1m3s h GLU 24 Ca -0.18 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 58.57 1m3s h GLU 24 Cb 1.79 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 29.57 1m3s h GLU 24 CO 0.08 0.39 -0.19 0.93 -1.40 0.00 0.00 179.01 178.82 1m3s h GLU 25 N 0.61 0.40 0.15 2.33 4.39 -1.90 -2.92 114.58 117.64 1m3s h GLU 25 Ca 0.40 -0.23 0.02 0.00 0.34 0.00 0.00 59.36 59.89 1m3s h GLU 25 Cb 0.49 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.12 1m3s h GLU 25 CO -0.31 0.80 -0.27 0.00 -1.16 0.00 0.00 179.01 178.07 1m3s h ALA 26 N 0.60 -0.48 -0.06 3.43 0.00 -1.61 -2.30 119.26 118.85 1m3s h ALA 26 Ca 0.02 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1m3s h ALA 26 Cb 0.74 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1m3s h ALA 26 CO 0.05 -0.81 0.05 -0.44 0.00 0.00 0.00 179.25 178.09 1m3s h ASP 27 N -0.50 0.00 0.10 0.00 5.19 -1.47 0.46 116.42 120.20 1m3s h ASP 27 Ca 0.02 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.32 1m3s h ASP 27 Cb 0.51 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.01 1m3s h ASP 27 CO -0.14 0.00 -0.39 -0.61 -3.12 0.00 0.00 179.24 174.98 1m3s h GLN 28 N 0.00 0.39 -0.51 3.56 4.15 -1.28 -2.62 115.11 118.80 1m3s h GLN 28 Ca 0.03 -0.18 -0.12 0.00 0.77 0.00 0.00 58.65 59.14 1m3s h GLN 28 Cb 0.12 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 1m3s h GLN 28 CO -0.00 0.72 -0.15 1.25 -1.93 0.00 0.00 178.83 178.72 1m3s h LEU 29 N 0.32 1.02 -0.95 -2.39 5.85 -0.35 -0.39 115.31 118.42 1m3s h LEU 29 Ca 0.03 -0.37 -0.06 0.00 0.84 0.00 0.00 57.88 58.32 1m3s h LEU 29 Cb 0.83 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1m3s h LEU 29 CO 0.07 1.16 0.13 0.00 -0.34 0.00 0.00 178.44 179.46 1m3s h ALA 30 N 0.90 1.15 -0.44 1.25 0.00 -1.33 -0.55 119.26 120.24 1m3s h ALA 30 Ca 0.13 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1m3s h ALA 30 Cb 0.73 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1m3s h ALA 30 CO 0.06 0.58 -0.18 -0.44 0.00 0.00 0.00 179.25 179.27 1m3s h ASP 31 N 0.86 0.92 -0.72 0.00 3.32 -1.05 -0.20 116.42 119.54 1m3s h ASP 31 Ca 0.19 -0.39 -0.03 0.00 0.02 0.00 0.00 57.03 56.82 1m3s h ASP 31 Cb 0.32 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 1m3s h ASP 31 CO 0.00 1.10 0.34 0.45 -1.72 0.00 0.00 179.24 179.41 1m3s h HIS 32 N 0.73 1.06 -0.73 4.55 3.86 -0.64 -2.20 115.15 121.78 1m3s h HIS 32 Ca 0.10 -0.06 -0.04 0.00 -1.16 0.00 0.00 60.37 59.22 1m3s h HIS 32 Cb 0.74 -0.33 -0.03 0.00 1.06 0.00 0.00 27.41 28.85 1m3s h HIS 32 CO 0.05 0.79 0.31 0.82 0.86 0.00 0.00 177.93 180.76 1m3s h ILE 33 N 1.02 1.25 -0.26 2.45 2.04 -0.51 -1.21 117.51 122.29 1m3s h ILE 33 Ca 0.25 -0.75 -0.04 0.00 1.00 0.00 0.00 64.86 65.32 1m3s h ILE 33 Cb 0.14 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1m3s h ILE 33 CO -0.03 0.31 0.01 -0.07 0.00 0.00 0.00 178.15 178.36 1m3s h LEU 34 N 1.04 0.35 0.00 1.44 3.38 -0.75 -3.29 115.31 117.49 1m3s h LEU 34 Ca 0.25 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1m3s h LEU 34 Cb 0.18 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1m3s h LEU 34 CO -0.02 0.41 -1.38 -1.54 0.09 0.00 0.00 178.44 175.99 1m3s n SER 35 N -4.33 0.59 -4.77 -0.43 3.41 -0.85 -4.96 113.62 102.28 1m3s n SER 35 Ca 0.01 -0.57 -0.40 0.00 -0.26 0.00 0.00 58.87 57.65 1m3s n SER 35 Cb 0.21 1.37 -0.06 0.00 -0.26 0.00 0.00 64.21 65.47 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 -3.63 7.32 0.20 4.04 0.01 -0.48 -4.97 113.70 116.19 1m3s s SER 36 Ca 0.02 1.56 -0.03 0.00 1.31 0.00 0.00 55.95 58.80 1m3s s SER 36 Cb 0.15 -2.48 0.15 0.00 0.21 0.00 0.00 66.02 64.05 1m3s s SER 36 CO 0.88 0.14 1.56 -0.74 0.41 0.00 0.00 173.24 175.49 1m3s h HIS 37 N 4.82 0.77 -4.05 2.43 2.76 -1.90 -3.43 115.15 116.55 1m3s h HIS 37 Ca -0.46 -0.23 -0.46 0.00 -2.20 0.00 0.00 60.37 57.03 1m3s h HIS 37 Cb 1.21 -0.16 -0.25 0.00 1.55 0.00 0.00 27.41 29.76 1m3s h HIS 37 CO 0.65 0.95 -0.80 -0.65 -1.30 0.00 0.00 177.93 176.78 1m3s s GLN 38 N -4.26 0.98 -0.09 5.26 -0.21 -1.26 -4.49 119.66 115.59 1m3s s GLN 38 Ca -0.08 -0.79 0.03 0.00 0.02 0.00 0.00 55.36 54.54 1m3s s GLN 38 Cb 0.12 -1.00 0.01 0.00 1.00 0.00 0.00 33.01 33.14 1m3s s GLN 38 CO 0.84 0.25 -0.18 0.42 -2.12 0.00 0.00 175.29 174.49 1m3s s ILE 39 N -0.86 1.65 -0.10 1.08 1.09 -0.51 -1.46 121.20 122.09 1m3s s ILE 39 Ca 0.02 -0.77 0.01 0.00 -1.10 0.00 0.00 60.65 58.80 1m3s s ILE 39 Cb -0.08 -1.46 -0.02 0.00 -1.06 0.00 0.00 42.46 39.84 1m3s s ILE 39 CO 0.01 0.47 -0.11 -0.36 -0.10 0.00 0.00 174.94 174.85 1m3s s PHE 40 N 0.57 2.83 0.31 3.97 0.40 0.11 -0.71 117.98 125.46 1m3s s PHE 40 Ca -0.15 -0.34 0.08 0.00 -0.60 0.00 0.00 56.93 55.92 1m3s s PHE 40 Cb -0.17 -1.77 -0.04 0.00 0.51 0.00 0.00 43.02 41.55 1m3s s PHE 40 CO 0.05 0.02 0.17 0.95 0.70 0.00 0.00 175.22 177.12 1m3s s THR 41 N -0.17 3.46 -0.07 0.64 -4.23 0.40 -0.44 115.64 115.23 1m3s s THR 41 Ca 0.01 -1.59 -0.30 0.00 -1.18 0.00 0.00 61.69 58.62 1m3s s THR 41 Cb -0.13 -3.08 0.07 0.00 1.34 0.00 0.00 72.50 70.70 1m3s s THR 41 CO 0.03 -0.24 0.69 0.00 -0.54 0.00 0.00 174.62 174.56 1m3s s ALA 42 N -2.33 -1.77 -0.24 3.99 0.00 0.06 -0.89 121.76 120.58 1m3s s ALA 42 Ca 0.37 1.40 -0.37 0.00 0.00 0.00 0.00 51.96 53.36 1m3s s ALA 42 Cb -0.05 -0.13 0.15 0.00 0.00 0.00 0.00 23.12 23.09 1m3s s ALA 42 CO 0.24 -0.37 1.38 0.20 0.00 0.00 0.00 175.76 177.21 1m3s s GLY 43 N -1.03 -0.27 0.09 0.00 0.00 -1.26 -1.72 107.32 103.13 1m3s s GLY 43 Ca -0.10 1.67 0.05 0.00 0.00 0.00 0.00 44.72 46.34 1m3s s GLY 43 CO 0.09 0.53 -0.00 0.00 0.00 0.00 0.00 173.10 173.71 1m3s s ALA 44 N -2.08 3.29 0.00 3.20 0.00 -1.26 -3.95 121.76 120.96 1m3s s ALA 44 Ca 0.12 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.96 1m3s s ALA 44 Cb 0.01 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 21.94 1m3s s ALA 44 CO -0.03 0.70 0.00 0.41 0.00 0.00 0.00 175.76 176.84 1m3s n GLY 45 N 0.56 2.98 0.34 0.00 0.00 -1.26 -1.96 105.19 105.84 1m3s n GLY 45 Ca -0.11 -0.32 0.06 0.00 0.00 0.00 0.00 46.02 45.65 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 0.66 -0.66 1.61 3.08 -2.00 -0.70 114.38 116.37 1m3s h ARG 46 Ca 0.00 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.04 1m3s h ARG 46 Cb 0.00 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 29.87 1m3s h ARG 46 CO 0.00 0.43 0.44 0.77 -1.07 0.00 0.00 179.97 180.54 1m3s h SER 47 N 0.68 0.68 -0.71 7.04 0.02 -1.78 -1.49 113.55 117.99 1m3s h SER 47 Ca 0.26 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1m3s h SER 47 Cb 0.16 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1m3s h SER 47 CO -0.07 0.47 0.41 1.23 -1.14 0.00 0.00 176.83 177.73 1m3s h GLY 48 N 0.79 1.05 0.83 -3.77 0.00 -0.50 -1.06 103.07 100.41 1m3s h GLY 48 Ca 0.26 -0.46 0.05 0.00 0.00 0.00 0.00 47.33 47.18 1m3s h GLY 48 CO -0.07 0.44 0.62 1.41 0.00 0.00 0.00 176.54 178.93 1m3s h LEU 49 N 0.97 1.01 -0.57 3.11 3.38 -0.56 -0.75 115.31 121.90 1m3s h LEU 49 Ca 0.25 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.09 1m3s h LEU 49 Cb 0.00 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1m3s h LEU 49 CO -0.04 0.68 -0.31 0.24 0.09 0.00 0.00 178.44 179.10 1m3s h MET 50 N 1.17 0.81 -0.83 1.13 2.86 -0.85 -0.99 114.93 118.23 1m3s h MET 50 Ca 0.39 -0.38 0.07 0.00 -2.06 0.00 0.00 59.70 57.73 1m3s h MET 50 Cb 0.06 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 31.64 1m3s h MET 50 CO -0.14 1.01 0.50 0.00 1.06 0.00 0.00 176.91 179.34 1m3s h ALA 51 N 0.96 1.16 -0.52 6.32 0.00 -0.56 -0.64 119.26 125.98 1m3s h ALA 51 Ca 0.08 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1m3s h ALA 51 Cb 0.85 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1m3s h ALA 51 CO 0.07 0.19 -0.14 0.87 0.00 0.00 0.00 179.25 180.25 1m3s h LYS 52 N 0.88 1.00 -0.41 0.00 1.57 -0.77 0.26 116.57 119.11 1m3s h LYS 52 Ca 0.38 -0.38 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1m3s h LYS 52 Cb 0.24 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1m3s h LYS 52 CO -0.20 1.06 0.01 0.77 -0.57 0.00 0.00 179.45 180.52 1m3s h SER 53 N 0.88 0.61 -0.03 0.86 0.02 -0.27 -0.56 113.55 115.07 1m3s h SER 53 Ca 0.13 -0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 1m3s h SER 53 Cb 0.71 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.09 1m3s h SER 53 CO 0.05 0.68 -0.18 0.15 -1.14 0.00 0.00 176.83 176.39 1m3s h PHE 54 N 0.62 0.23 -0.82 3.45 -0.00 -0.86 -2.80 116.94 116.76 1m3s h PHE 54 Ca 0.13 -0.11 0.10 0.00 -0.00 0.00 0.00 57.97 58.09 1m3s h PHE 54 Cb 0.37 -0.03 -0.08 0.00 -0.00 0.00 0.00 35.95 36.21 1m3s h PHE 54 CO 0.02 0.83 0.46 0.00 -0.00 0.00 0.00 178.31 179.62 1m3s h ALA 55 N 0.35 1.18 -0.42 2.41 0.00 -0.76 -0.59 119.26 121.43 1m3s h ALA 55 Ca -0.01 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1m3s h ALA 55 Cb 0.86 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1m3s h ALA 55 CO 0.04 0.06 0.21 1.98 0.00 0.00 0.00 179.25 181.54 1m3s h MET 56 N 0.76 0.42 -0.26 0.00 1.85 -1.10 -1.15 114.93 115.45 1m3s h MET 56 Ca 0.40 -0.03 -0.12 0.00 -0.61 0.00 0.00 59.70 59.35 1m3s h MET 56 Cb 0.41 -0.09 -0.01 0.00 0.43 0.00 0.00 31.60 32.33 1m3s h MET 56 CO -0.27 0.28 -0.33 -0.09 -0.40 0.00 0.00 176.91 176.10 1m3s h ARG 57 N 0.43 0.55 -0.62 0.39 9.65 -1.14 -0.78 114.38 122.86 1m3s h ARG 57 Ca 0.18 -0.25 0.05 0.00 -1.10 0.00 0.00 59.98 58.86 1m3s h ARG 57 Cb 0.08 -0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 28.59 1m3s h ARG 57 CO -0.12 0.81 0.34 -0.07 2.80 0.00 0.00 179.97 183.73 1m3s h LEU 58 N 0.47 0.50 -0.38 3.80 3.38 -0.89 -1.67 115.31 120.51 1m3s h LEU 58 Ca 0.05 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1m3s h LEU 58 Cb 0.80 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 1m3s h LEU 58 CO 0.07 0.33 0.22 -0.03 0.09 0.00 0.00 178.44 179.11 1m3s h MET 59 N 0.63 0.53 -0.95 1.13 4.05 -0.84 -0.91 114.93 118.57 1m3s h MET 59 Ca 0.27 -0.06 0.20 0.00 -0.28 0.00 0.00 59.70 59.84 1m3s h MET 59 Cb 0.16 -0.11 -0.08 0.00 -0.80 0.00 0.00 31.60 30.77 1m3s h MET 59 CO -0.17 0.42 0.61 0.45 0.23 0.00 0.00 176.91 178.45 1m3s h HIS 60 N 0.50 0.74 -0.01 1.39 3.86 -0.60 0.19 115.15 121.22 1m3s h HIS 60 Ca 0.14 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 1m3s h HIS 60 Cb 0.03 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.28 1m3s h HIS 60 CO -0.03 0.18 0.00 -1.33 0.86 0.00 0.00 177.93 177.61 1m3s n MET 61 N -4.60 1.42 -0.06 2.45 2.00 -0.68 -1.00 117.12 116.65 1m3s n MET 61 Ca 0.21 -0.61 0.00 0.00 0.00 0.00 0.00 57.70 57.30 1m3s n MET 61 Cb 0.66 -1.48 0.00 0.00 0.00 0.00 0.00 33.22 32.40 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 1.11 0.69 3.85 3.03 0.00 0.66 -5.01 105.19 109.52 1m3s n GLY 62 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.07 3.49 -1.24 1.61 0.40 -0.39 -4.96 117.98 114.82 1m3s s PHE 63 Ca 0.00 1.41 -0.14 0.00 -0.60 0.00 0.00 56.93 57.60 1m3s s PHE 63 Cb 0.00 -2.78 0.15 0.00 0.51 0.00 0.00 43.02 40.90 1m3s s PHE 63 CO 0.00 -0.51 1.53 0.09 0.70 0.00 0.00 175.22 177.03 1m3s n ASN 64 N -2.00 5.15 -4.70 1.36 3.02 -1.26 -4.19 115.26 112.63 1m3s n ASN 64 Ca 0.06 -2.97 -0.33 0.00 -0.03 0.00 0.00 54.58 51.31 1m3s n ASN 64 Cb 0.54 -1.60 -0.09 0.00 -0.61 0.00 0.00 39.78 38.02 1m3s n ASN 64 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1m3s s ALA 65 N 2.04 3.34 0.12 5.41 0.00 -1.26 -1.42 121.76 129.99 1m3s s ALA 65 Ca 0.45 -0.89 -0.05 0.00 0.00 0.00 0.00 51.96 51.47 1m3s s ALA 65 Cb -0.01 -1.43 -0.02 0.00 0.00 0.00 0.00 23.12 21.66 1m3s s ALA 65 CO 0.02 0.64 0.13 -1.01 0.00 0.00 0.00 175.76 175.54 1m3s s HIS 66 N -1.04 0.53 -0.12 0.00 3.76 0.12 -4.88 115.29 113.66 1m3s s HIS 66 Ca 0.18 -0.94 0.03 0.00 -0.15 0.00 0.00 55.06 54.17 1m3s s HIS 66 Cb -0.12 -0.26 0.01 0.00 1.11 0.00 0.00 32.58 33.32 1m3s s HIS 66 CO 0.08 -0.56 -0.20 0.42 -0.85 0.00 0.00 174.74 173.63 1m3s s ILE 67 N -3.97 1.83 0.21 0.60 1.01 -1.26 -0.45 121.20 119.17 1m3s s ILE 67 Ca 0.15 -0.86 -0.31 0.00 0.00 0.00 0.00 60.65 59.64 1m3s s ILE 67 Cb 0.06 -1.62 -0.10 0.00 0.01 0.00 0.00 42.46 40.80 1m3s s ILE 67 CO -0.03 0.51 1.53 -0.69 0.00 0.00 0.00 174.94 176.26 1m3s s VAL 68 N 0.73 2.54 0.00 2.92 1.01 -0.07 -2.97 120.40 124.57 1m3s s VAL 68 Ca -0.11 0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.29 1m3s s VAL 68 Cb -0.16 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 32.95 1m3s s VAL 68 CO 0.01 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.77 1m3s n GLY 69 N 3.05 0.61 3.93 4.51 0.00 -1.26 -4.89 105.19 111.15 1m3s n GLY 69 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.84 3.34 0.21 1.61 0.41 -1.16 -5.00 118.70 117.27 1m3s s GLU 70 Ca 0.00 -0.19 -0.09 0.00 -0.41 0.00 0.00 54.97 54.28 1m3s s GLU 70 Cb 0.00 -2.51 0.25 0.00 -1.78 0.00 0.00 34.13 30.09 1m3s s GLU 70 CO 0.00 -0.14 1.80 0.82 -0.49 0.00 0.00 175.26 177.25 1m3s h ILE 71 N 0.42 0.95 -0.56 -1.63 1.08 -1.98 -2.53 117.51 113.26 1m3s h ILE 71 Ca -0.48 -0.23 -0.00 0.00 -0.39 0.00 0.00 64.86 63.76 1m3s h ILE 71 Cb 1.23 0.22 -0.00 0.00 -3.07 0.00 0.00 36.82 35.20 1m3s h ILE 71 CO 0.60 0.12 0.00 0.18 -0.69 0.00 0.00 178.15 178.37 1m3s n LEU 72 N -4.80 5.68 -4.70 1.44 4.77 -1.26 -4.97 117.00 113.16 1m3s n LEU 72 Ca 0.09 -2.95 -0.42 0.00 -0.03 0.00 0.00 56.01 52.70 1m3s n LEU 72 Cb 0.19 -0.68 -0.03 0.00 -2.33 0.00 0.00 43.42 40.57 1m3s n LEU 72 CO 0.28 0.63 1.38 -0.89 -1.33 0.00 0.00 177.39 177.47 1m3s s THR 73 N -2.78 2.63 0.65 -5.08 2.01 -0.95 -4.98 115.64 107.13 1m3s s THR 73 Ca 0.54 0.23 -0.05 0.00 0.31 0.00 0.00 61.69 62.73 1m3s s THR 73 Cb 0.42 -3.15 0.05 0.00 0.01 0.00 0.00 72.50 69.82 1m3s s THR 73 CO 0.16 0.00 0.94 -2.16 -0.69 0.00 0.00 174.62 172.87 1m3s s PRO 74 N 2.26 2.38 0.50 4.92 0.04 -1.26 -5.03 135.00 138.81 1m3s s PRO 74 Ca 0.76 -0.35 -0.22 0.00 0.04 0.00 0.00 61.00 61.23 1m3s s PRO 74 Cb -0.44 -2.26 -0.06 0.00 0.04 0.00 0.00 34.50 31.78 1m3s s PRO 74 CO 0.34 -1.04 1.25 -1.25 0.04 0.00 0.00 177.00 176.34 1m3s s PRO 75 N -5.10 3.47 0.29 0.56 0.04 -1.26 -5.00 135.00 128.00 1m3s s PRO 75 Ca 0.59 1.98 -0.29 0.00 0.04 0.00 0.00 61.00 63.32 1m3s s PRO 75 Cb -0.11 -2.34 -0.09 0.00 0.04 0.00 0.00 34.50 32.00 1m3s s PRO 75 CO 0.43 -0.85 1.04 -1.17 0.04 0.00 0.00 177.00 176.50 1m3s s LEU 76 N -3.26 4.52 0.37 -3.56 0.20 -1.26 -5.09 118.68 110.60 1m3s s LEU 76 Ca 0.67 2.13 0.08 0.00 0.69 0.00 0.00 54.13 57.71 1m3s s LEU 76 Cb -0.34 -3.71 -0.06 0.00 -0.43 0.00 0.00 46.19 41.66 1m3s s LEU 76 CO 0.41 -0.10 0.06 0.00 -0.29 0.00 0.00 176.35 176.43 1m3s s ALA 77 N -1.25 3.31 0.07 5.97 0.00 -1.26 -5.06 121.76 123.55 1m3s s ALA 77 Ca 0.45 -2.03 -0.37 0.00 0.00 0.00 0.00 51.96 50.01 1m3s s ALA 77 Cb -0.28 -0.33 -0.18 0.00 0.00 0.00 0.00 23.12 22.32 1m3s s ALA 77 CO 0.36 -0.02 1.16 -1.91 0.00 0.00 0.00 175.76 175.35 1m3s n GLU 78 N -1.04 0.63 0.00 0.00 2.13 -1.24 -1.83 120.64 119.29 1m3s n GLU 78 Ca -0.03 0.23 0.00 0.00 0.66 0.00 0.00 57.16 58.01 1m3s n GLU 78 Cb 0.63 -1.75 0.00 0.00 0.27 0.00 0.00 31.44 30.59 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 2.01 2.07 3.76 8.31 0.00 -0.06 -4.93 105.19 116.34 1m3s n GLY 79 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.65 4.66 -0.11 1.61 -0.00 -0.76 -4.57 116.67 114.84 1m3s s ASP 80 Ca 0.00 2.01 -0.05 0.00 -0.00 0.00 0.00 52.55 54.51 1m3s s ASP 80 Cb 0.00 -2.55 -0.04 0.00 -0.00 0.00 0.00 42.92 40.33 1m3s s ASP 80 CO 0.00 -1.93 0.09 -0.22 -0.00 0.00 0.00 175.17 173.10 1m3s s LEU 81 N -5.32 4.08 -0.15 1.23 2.96 -0.54 -1.12 118.68 119.83 1m3s s LEU 81 Ca 0.66 0.33 0.02 0.00 -0.22 0.00 0.00 54.13 54.92 1m3s s LEU 81 Cb -0.21 -1.98 0.01 0.00 0.50 0.00 0.00 46.19 44.52 1m3s s LEU 81 CO 0.47 0.38 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.99 1m3s s VAL 82 N -0.87 1.96 -0.33 1.68 1.01 -0.27 0.04 120.40 123.62 1m3s s VAL 82 Ca 0.14 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 61.16 1m3s s VAL 82 Cb -0.12 -1.75 0.04 0.00 0.00 0.00 0.00 36.38 34.55 1m3s s VAL 82 CO 0.03 0.53 0.09 -0.63 0.00 0.00 0.00 175.10 175.12 1m3s s ILE 83 N 1.04 3.72 -0.26 2.22 1.01 0.42 -1.06 121.20 128.28 1m3s s ILE 83 Ca -0.02 -1.11 -0.05 0.00 0.00 0.00 0.00 60.65 59.46 1m3s s ILE 83 Cb -0.14 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.24 1m3s s ILE 83 CO -0.06 -0.14 0.03 -0.63 0.00 0.00 0.00 174.94 174.13 1m3s s ILE 84 N 1.40 3.70 -0.34 2.92 1.01 0.30 -0.76 121.20 129.42 1m3s s ILE 84 Ca -0.02 -0.63 -0.14 0.00 0.00 0.00 0.00 60.65 59.86 1m3s s ILE 84 Cb -0.19 -2.83 -0.01 0.00 0.01 0.00 0.00 42.46 39.44 1m3s s ILE 84 CO 0.02 0.22 0.31 -0.83 0.00 0.00 0.00 174.94 174.66 1m3s s GLY 85 N 1.48 1.93 -0.19 6.18 0.00 -0.70 -0.92 107.32 115.11 1m3s s GLY 85 Ca 0.03 -1.29 -0.05 0.00 0.00 0.00 0.00 44.72 43.41 1m3s s GLY 85 CO 0.00 0.90 0.35 -0.45 0.00 0.00 0.00 173.10 173.90 1m3s s SER 86 N 1.73 0.10 0.08 1.64 0.15 -0.04 -4.42 113.70 112.93 1m3s s SER 86 Ca 0.09 0.67 -0.32 0.00 0.70 0.00 0.00 55.95 57.09 1m3s s SER 86 Cb -0.17 1.07 -0.17 0.00 -1.71 0.00 0.00 66.02 65.04 1m3s s SER 86 CO 0.11 -0.25 1.62 1.23 1.20 0.00 0.00 173.24 177.15 1m3s h GLY 87 N 8.22 -0.91 1.69 9.45 0.00 -1.96 -3.17 103.07 116.39 1m3s h GLY 87 Ca -0.16 0.38 -0.14 0.00 0.00 0.00 0.00 47.33 47.41 1m3s h GLY 87 CO 0.16 -0.33 -0.54 1.48 0.00 0.00 0.00 176.54 177.32 1m3s h SER 88 N -0.84 0.37 -0.94 0.19 4.64 -1.97 -2.27 113.55 112.73 1m3s h SER 88 Ca -0.06 -0.19 -0.33 0.00 -0.47 0.00 0.00 61.79 60.74 1m3s h SER 88 Cb 0.69 -0.10 -0.12 0.00 -0.31 0.00 0.00 62.40 62.56 1m3s h SER 88 CO 0.06 0.83 -0.31 0.61 -0.87 0.00 0.00 176.83 177.15 1m3s n GLY 89 N 0.15 1.38 0.00 -0.77 0.00 -1.20 -4.71 105.19 100.04 1m3s n GLY 89 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.54 -0.29 -2.02 1.61 -0.58 -1.26 -1.61 120.64 113.95 1m3s n GLU 90 Ca -0.16 -0.53 -0.42 0.00 -0.42 0.00 0.00 57.16 55.63 1m3s n GLU 90 Cb 0.54 -0.89 -0.03 0.00 -0.57 0.00 0.00 31.44 30.49 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 -0.12 3.44 0.21 2.62 2.01 -1.26 -4.87 115.64 117.67 1m3s s THR 91 Ca 0.00 0.70 -0.09 0.00 0.31 0.00 0.00 61.69 62.60 1m3s s THR 91 Cb 0.00 -3.45 0.15 0.00 0.01 0.00 0.00 72.50 69.21 1m3s s THR 91 CO 0.00 -0.04 1.84 0.50 -0.69 0.00 0.00 174.62 176.23 1m3s h LYS 92 N 8.94 0.79 -0.79 4.92 1.63 -1.99 -0.66 116.57 129.42 1m3s h LYS 92 Ca -0.40 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.35 1m3s h LYS 92 Cb 1.18 -0.18 -0.04 0.00 -0.60 0.00 0.00 32.23 32.60 1m3s h LYS 92 CO 0.94 0.52 0.46 0.66 -3.45 0.00 0.00 179.45 178.58 1m3s h SER 93 N 0.81 0.95 0.42 4.20 4.64 -1.99 -0.43 113.55 122.15 1m3s h SER 93 Ca 0.29 -0.06 -0.18 0.00 -0.47 0.00 0.00 61.79 61.38 1m3s h SER 93 Cb 0.08 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 1m3s h SER 93 CO -0.14 0.73 -0.74 -0.07 -0.87 0.00 0.00 176.83 175.75 1m3s h LEU 94 N 1.08 0.32 -0.37 5.97 3.38 -1.59 -0.90 115.31 123.20 1m3s h LEU 94 Ca 0.28 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1m3s h LEU 94 Cb -0.03 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1m3s h LEU 94 CO -0.05 0.95 0.25 0.40 0.09 0.00 0.00 178.44 180.07 1m3s h ILE 95 N 0.17 1.10 -0.30 1.22 2.04 -0.67 -1.36 117.51 119.72 1m3s h ILE 95 Ca -0.03 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1m3s h ILE 95 Cb 1.31 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 1m3s h ILE 95 CO 0.12 0.09 0.16 -0.74 0.00 0.00 0.00 178.15 177.78 1m3s h HIS 96 N 0.50 0.42 -0.55 1.37 2.76 -0.91 -1.69 115.15 117.06 1m3s h HIS 96 Ca 0.14 -0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.36 1m3s h HIS 96 Cb -0.06 -0.13 -0.06 0.00 1.55 0.00 0.00 27.41 28.72 1m3s h HIS 96 CO -0.05 0.36 0.25 1.15 -1.30 0.00 0.00 177.93 178.33 1m3s h THR 97 N 0.36 0.88 -0.46 6.26 2.02 -1.00 -0.74 112.91 120.23 1m3s h THR 97 Ca 0.10 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1m3s h THR 97 Cb 0.08 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 1m3s h THR 97 CO -0.02 0.08 0.26 0.00 0.37 0.00 0.00 175.52 176.22 1m3s h ALA 98 N 1.33 0.59 -0.46 6.16 0.00 -0.89 -0.50 119.26 125.49 1m3s h ALA 98 Ca 0.26 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1m3s h ALA 98 Cb 0.23 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1m3s h ALA 98 CO -0.22 0.11 0.14 0.00 0.00 0.00 0.00 179.25 179.28 1m3s h ALA 99 N 1.11 0.61 -0.32 0.00 0.00 -1.01 -1.13 119.26 118.51 1m3s h ALA 99 Ca 0.16 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1m3s h ALA 99 Cb 0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1m3s h ALA 99 CO -0.03 0.26 0.09 -0.22 0.00 0.00 0.00 179.25 179.36 1m3s h LYS 100 N 0.61 0.50 -0.50 0.00 1.63 -1.00 -1.18 116.57 116.64 1m3s h LYS 100 Ca 0.15 -0.11 0.10 0.00 -0.85 0.00 0.00 60.65 59.93 1m3s h LYS 100 Cb 0.27 -0.07 -0.08 0.00 -0.60 0.00 0.00 32.23 31.75 1m3s h LYS 100 CO -0.00 0.55 0.01 0.00 -3.45 0.00 0.00 179.45 176.55 1m3s h ALA 101 N 0.93 0.47 -0.79 5.00 0.00 -0.89 -2.06 119.26 121.92 1m3s h ALA 101 Ca 0.10 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1m3s h ALA 101 Cb 0.26 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1m3s h ALA 101 CO -0.00 -0.38 0.41 0.87 0.00 0.00 0.00 179.25 180.15 1m3s h LYS 102 N 0.12 1.11 0.00 0.00 1.79 -1.07 0.19 116.57 118.71 1m3s h LYS 102 Ca 0.25 -0.14 -0.04 0.00 -2.18 0.00 0.00 60.65 58.54 1m3s h LYS 102 Cb 0.38 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 1m3s h LYS 102 CO -0.41 0.83 -0.19 0.66 -1.08 0.00 0.00 179.45 179.26 1m3s h SER 103 N 1.11 0.00 -0.12 0.86 4.64 -0.54 -2.12 113.55 117.39 1m3s h SER 103 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1m3s h SER 103 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1m3s h SER 103 CO -0.04 0.19 0.00 0.18 -0.87 0.00 0.00 176.83 176.29 1m3s n LEU 104 N -3.76 2.23 -1.79 5.97 4.77 -0.86 -4.94 117.00 118.62 1m3s n LEU 104 Ca -0.02 -0.83 -0.13 0.00 -0.03 0.00 0.00 56.01 55.00 1m3s n LEU 104 Cb 0.30 -0.07 0.01 0.00 -2.33 0.00 0.00 43.42 41.34 1m3s n LEU 104 CO 0.33 0.42 -0.05 1.41 -1.33 0.00 0.00 177.39 178.16 1m3s n HIS 105 N 0.72 -1.02 -1.72 -1.77 8.25 -0.80 -3.67 115.22 115.21 1m3s n HIS 105 Ca 0.17 0.22 -0.29 0.00 -0.26 0.00 0.00 57.72 57.56 1m3s n HIS 105 Cb 0.45 -3.05 0.11 0.00 1.12 0.00 0.00 29.99 28.61 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 -2.70 1.59 -0.12 -1.41 0.00 0.62 -0.88 107.32 104.41 1m3s s GLY 106 Ca 0.13 -0.56 -0.02 0.00 0.00 0.00 0.00 44.72 44.27 1m3s s GLY 106 CO 0.16 -0.05 -0.05 -0.42 0.00 0.00 0.00 173.10 172.75 1m3s s ILE 107 N -3.41 3.86 -0.18 0.90 1.01 -0.28 -4.49 121.20 118.60 1m3s s ILE 107 Ca 0.63 -0.39 -0.02 0.00 0.00 0.00 0.00 60.65 60.87 1m3s s ILE 107 Cb -0.13 -2.65 -0.01 0.00 0.01 0.00 0.00 42.46 39.69 1m3s s ILE 107 CO 0.51 0.54 -0.10 -0.69 0.00 0.00 0.00 174.94 175.21 1m3s s VAL 108 N -0.12 3.06 -0.17 2.92 1.01 -1.26 -1.11 120.40 124.73 1m3s s VAL 108 Ca 0.02 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.33 1m3s s VAL 108 Cb -0.13 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 1m3s s VAL 108 CO 0.03 0.47 0.01 0.00 0.00 0.00 0.00 175.10 175.61 1m3s s ALA 109 N 1.08 3.19 -0.09 5.51 0.00 -0.22 0.63 121.76 131.86 1m3s s ALA 109 Ca 0.00 -0.78 0.04 0.00 0.00 0.00 0.00 51.96 51.22 1m3s s ALA 109 Cb -0.15 -1.72 -0.00 0.00 0.00 0.00 0.00 23.12 21.25 1m3s s ALA 109 CO -0.02 0.20 -0.24 0.00 0.00 0.00 0.00 175.76 175.70 1m3s s ALA 110 N 0.36 2.12 -0.39 0.00 0.00 0.52 -0.54 121.76 123.83 1m3s s ALA 110 Ca -0.01 -0.96 -0.09 0.00 0.00 0.00 0.00 51.96 50.91 1m3s s ALA 110 Cb -0.13 -0.76 0.06 0.00 0.00 0.00 0.00 23.12 22.28 1m3s s ALA 110 CO 0.02 0.31 0.21 -0.51 0.00 0.00 0.00 175.76 175.78 1m3s s LEU 111 N 0.24 4.85 0.10 0.00 1.02 -0.10 -0.60 118.68 124.20 1m3s s LEU 111 Ca -0.15 -1.32 -0.14 0.00 0.02 0.00 0.00 54.13 52.54 1m3s s LEU 111 Cb -0.17 -1.96 0.02 0.00 0.02 0.00 0.00 46.19 44.10 1m3s s LEU 111 CO 0.08 -0.45 0.32 0.28 0.02 0.00 0.00 176.35 176.60 1m3s s THR 112 N 1.44 0.09 0.11 5.49 -1.32 -1.10 -0.86 115.64 119.49 1m3s s THR 112 Ca 0.02 -0.77 -0.13 0.00 -1.21 0.00 0.00 61.69 59.60 1m3s s THR 112 Cb -0.21 -1.18 -0.15 0.00 -1.51 0.00 0.00 72.50 69.45 1m3s s THR 112 CO 0.03 -0.43 1.32 0.40 -2.21 0.00 0.00 174.62 173.74 1m3s h ILE 113 N 2.62 1.27 -3.49 5.08 2.04 -1.53 -1.45 117.51 122.06 1m3s h ILE 113 Ca -0.34 -1.93 -0.70 0.00 1.00 0.00 0.00 64.86 62.90 1m3s h ILE 113 Cb 1.23 1.91 -0.32 0.00 -0.74 0.00 0.00 36.82 38.90 1m3s h ILE 113 CO 0.50 0.62 -0.53 0.21 0.00 0.00 0.00 178.15 178.94 1m3s s ASN 114 N -7.09 5.36 0.55 1.72 2.47 -1.26 -4.56 114.94 112.13 1m3s s ASN 114 Ca -0.10 -1.77 0.35 0.00 0.42 0.00 0.00 52.86 51.76 1m3s s ASN 114 Cb 0.09 -1.88 1.58 0.00 -1.45 0.00 0.00 41.25 39.60 1m3s s ASN 114 CO 0.90 -0.52 2.04 1.55 -3.72 0.00 0.00 177.10 177.36 1m3s h PRO 115 N 8.18 0.00 -0.35 0.43 0.13 -1.96 -2.21 132.00 136.23 1m3s h PRO 115 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1m3s h PRO 115 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1m3s h PRO 115 CO 0.71 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.87 1m3s n GLU 116 N -2.98 1.95 -1.00 0.86 1.02 -1.26 -3.13 120.64 116.10 1m3s n GLU 116 Ca -0.00 -1.46 -0.29 0.00 -0.02 0.00 0.00 57.16 55.39 1m3s n GLU 116 Cb 0.23 -1.36 0.19 0.00 -0.02 0.00 0.00 31.44 30.48 1m3s n GLU 116 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1m3s s SER 117 N -1.20 2.35 0.24 1.62 1.04 -0.83 -4.70 113.70 112.21 1m3s s SER 117 Ca 0.30 1.36 -0.06 0.00 0.48 0.00 0.00 55.95 58.04 1m3s s SER 117 Cb 0.16 -2.05 0.42 0.00 0.10 0.00 0.00 66.02 64.65 1m3s s SER 117 CO 0.22 -3.33 1.72 0.28 0.98 0.00 0.00 173.24 173.12 1m3s h SER 118 N -2.03 0.21 -0.02 7.02 0.02 -1.87 0.10 113.55 116.99 1m3s h SER 118 Ca -0.55 0.11 -0.20 0.00 -0.84 0.00 0.00 61.79 60.31 1m3s h SER 118 Cb 1.32 0.10 0.02 0.00 0.14 0.00 0.00 62.40 63.98 1m3s h SER 118 CO 0.55 0.08 -0.78 0.40 -1.14 0.00 0.00 176.83 175.93 1m3s h ILE 119 N 0.40 1.35 -0.55 3.27 2.04 -1.66 -3.08 117.51 119.28 1m3s h ILE 119 Ca 0.39 -2.12 0.02 0.00 1.00 0.00 0.00 64.86 64.15 1m3s h ILE 119 Cb 0.59 2.44 -0.03 0.00 -0.74 0.00 0.00 36.82 39.07 1m3s h ILE 119 CO -0.40 0.64 0.34 1.23 0.00 0.00 0.00 178.15 179.95 1m3s h GLY 120 N 0.15 0.78 2.00 5.37 0.00 -1.63 -2.23 103.07 107.51 1m3s h GLY 120 Ca -0.09 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 1m3s h GLY 120 CO 0.16 0.23 -0.12 0.50 0.00 0.00 0.00 176.54 177.31 1m3s h LYS 121 N 0.68 0.00 0.00 4.80 1.57 -0.75 -0.77 116.57 122.10 1m3s h LYS 121 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1m3s h LYS 121 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1m3s h LYS 121 CO -0.08 0.12 0.00 1.96 -0.57 0.00 0.00 179.45 180.88 1m3s h GLN 122 N 0.00 0.00 -6.91 3.15 4.20 -1.33 -3.47 115.11 110.75 1m3s h GLN 122 Ca -0.00 0.00 -0.47 0.00 0.06 0.00 0.00 58.65 58.24 1m3s h GLN 122 Cb 0.22 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1m3s h GLN 122 CO 0.02 0.00 0.37 0.00 -0.67 0.00 0.00 178.83 178.54 1m3s s ALA 123 N -3.18 3.18 0.11 3.87 0.00 -0.30 -4.82 121.76 120.63 1m3s s ALA 123 Ca 0.09 0.58 0.05 0.00 0.00 0.00 0.00 51.96 52.68 1m3s s ALA 123 Cb 0.11 -3.21 -0.22 0.00 0.00 0.00 0.00 23.12 19.80 1m3s s ALA 123 CO 0.54 0.06 1.26 -0.44 0.00 0.00 0.00 175.76 177.18 1m3s h ASP 124 N 2.98 0.07 -3.55 0.00 5.19 -0.12 -3.45 116.42 117.54 1m3s h ASP 124 Ca -0.47 -0.07 -0.39 0.00 -0.62 0.00 0.00 57.03 55.48 1m3s h ASP 124 Cb 1.20 -0.02 -0.33 0.00 0.18 0.00 0.00 39.33 40.36 1m3s h ASP 124 CO 0.64 1.05 -0.77 -0.22 -3.12 0.00 0.00 179.24 176.83 1m3s s LEU 125 N -6.78 1.43 -0.15 1.55 2.96 -0.81 -5.02 118.68 111.87 1m3s s LEU 125 Ca 0.00 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.81 1m3s s LEU 125 Cb 0.10 -0.40 0.00 0.00 0.50 0.00 0.00 46.19 46.39 1m3s s LEU 125 CO 0.83 -0.04 -0.19 -0.63 -1.32 0.00 0.00 176.35 175.01 1m3s s ILE 126 N 0.73 2.34 -0.42 6.68 1.01 -1.26 -0.35 121.20 129.93 1m3s s ILE 126 Ca -0.09 -0.88 -0.12 0.00 0.00 0.00 0.00 60.65 59.56 1m3s s ILE 126 Cb -0.12 -1.96 0.06 0.00 0.01 0.00 0.00 42.46 40.44 1m3s s ILE 126 CO 0.00 0.53 0.28 -0.63 0.00 0.00 0.00 174.94 175.12 1m3s s ILE 127 N 0.82 4.63 -0.11 2.92 1.01 0.23 -4.87 121.20 125.83 1m3s s ILE 127 Ca -0.06 -1.11 -0.30 0.00 0.00 0.00 0.00 60.65 59.18 1m3s s ILE 127 Cb -0.15 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 38.58 1m3s s ILE 127 CO -0.01 -0.43 1.01 -0.60 0.00 0.00 0.00 174.94 174.91 1m3s s ARG 128 N 1.53 4.41 0.09 2.79 3.52 -1.26 -2.70 118.95 127.33 1m3s s ARG 128 Ca 0.03 1.39 0.02 0.00 -0.13 0.00 0.00 55.73 57.04 1m3s s ARG 128 Cb -0.22 -3.55 -0.04 0.00 -1.56 0.00 0.00 34.95 29.58 1m3s s ARG 128 CO 0.05 -0.33 0.17 -1.64 -0.81 0.00 0.00 175.30 172.74 1m3s s MET 129 N 2.08 3.20 0.72 5.12 -1.94 -0.54 -4.67 119.30 123.28 1m3s s MET 129 Ca 0.48 -0.59 -0.11 0.00 -1.71 0.00 0.00 55.69 53.77 1m3s s MET 129 Cb -0.18 -2.89 0.03 0.00 2.01 0.00 0.00 34.83 33.80 1m3s s MET 129 CO 0.17 0.57 1.07 -1.25 -0.01 0.00 0.00 175.02 175.57 1m3s s PRO 130 N -2.63 2.69 0.00 2.03 0.04 -1.26 -4.37 135.00 131.50 1m3s s PRO 130 Ca 0.33 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.37 1m3s s PRO 130 Cb -0.12 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1m3s s PRO 130 CO 0.26 -1.29 0.00 0.41 0.04 0.00 0.00 177.00 176.42 1m3s n GLY 131 N -1.77 1.09 3.73 0.56 0.00 -1.26 -4.89 105.19 102.66 1m3s n GLY 131 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.62 3.60 0.65 1.61 1.04 -1.26 -4.93 113.70 112.79 1m3s s SER 132 Ca 0.00 1.41 0.33 0.00 0.48 0.00 0.00 55.95 58.17 1m3s s SER 132 Cb 0.00 -2.09 1.81 0.00 0.10 0.00 0.00 66.02 65.83 1m3s s SER 132 CO 0.00 -2.55 2.04 -0.65 0.98 0.00 0.00 173.24 173.06 1m3s h PRO 133 N -1.49 0.00 0.47 4.02 0.11 -2.00 -2.52 132.00 130.59 1m3s h PRO 133 Ca -0.49 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 1m3s h PRO 133 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1m3s h PRO 133 CO 0.56 0.00 -0.22 -0.22 -0.21 0.00 0.00 178.00 177.91 1m3s h LYS 134 N 0.00 -0.60 0.00 1.05 3.64 -2.04 -3.52 116.57 115.09 1m3s h LYS 134 Ca 0.02 0.04 -0.22 0.00 -1.27 0.00 0.00 60.65 59.22 1m3s h LYS 134 Cb 0.53 0.14 0.05 0.00 -0.41 0.00 0.00 32.23 32.53 1m3s h LYS 134 CO -0.00 -0.40 0.07 -0.40 -2.27 0.00 0.00 179.45 176.45 1m3s n ASP 135 N -4.71 0.58 -0.03 4.20 5.75 -0.95 -5.15 116.55 116.24 1m3s n ASP 135 Ca -0.08 -1.51 0.00 0.00 -0.01 0.00 0.00 54.79 53.19 1m3s n ASP 135 Cb 0.25 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 1m3s n ASP 135 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1m3s n TYR 141 N -2.19 0.00 -4.41 2.11 9.36 -1.26 -4.91 117.16 115.86 1m3s n TYR 141 Ca 0.08 0.00 -0.28 0.00 3.32 0.00 0.00 57.90 61.02 1m3s n TYR 141 Cb 0.28 -0.05 -0.13 0.00 -0.63 0.00 0.00 39.34 38.81 1m3s n TYR 141 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 1m3s s LYS 142 N -0.86 1.36 -0.21 2.98 -2.85 -1.26 -5.06 119.74 113.85 1m3s s LYS 142 Ca 0.00 -1.28 -0.10 0.00 -1.00 0.00 0.00 55.97 53.59 1m3s s LYS 142 Cb 0.00 -1.78 0.08 0.00 -2.06 0.00 0.00 37.83 34.07 1m3s s LYS 142 CO 0.00 0.42 0.49 -0.08 0.10 0.00 0.00 175.35 176.29 1m3s s THR 143 N -1.06 -0.33 -1.91 3.79 -1.32 -1.26 -4.89 115.64 108.67 1m3s s THR 143 Ca 0.12 0.09 0.18 0.00 -1.21 0.00 0.00 61.69 60.86 1m3s s THR 143 Cb -0.10 -0.75 0.52 0.00 -1.51 0.00 0.00 72.50 70.67 1m3s s THR 143 CO 0.05 0.04 1.43 2.30 -2.21 0.00 0.00 174.62 176.23 1m3s n ILE 144 N 4.76 0.86 -3.40 5.08 -5.35 -1.26 -4.98 119.36 115.07 1m3s n ILE 144 Ca -0.17 -0.80 -0.27 0.00 -0.27 0.00 0.00 62.75 61.25 1m3s n ILE 144 Cb 0.53 0.35 -0.02 0.00 -1.74 0.00 0.00 39.64 38.76 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 -1.28 3.55 0.89 6.28 -0.21 -1.26 -5.07 119.66 122.56 1m3s s GLN 145 Ca 0.39 -0.18 -0.14 0.00 0.02 0.00 0.00 55.36 55.45 1m3s s GLN 145 Cb 0.21 -2.68 0.01 0.00 1.00 0.00 0.00 33.01 31.55 1m3s s GLN 145 CO 0.26 0.21 0.41 -2.30 -2.12 0.00 0.00 175.29 171.74 1m3s n PRO 146 N -1.25 -0.12 0.00 2.91 -0.02 -1.26 -4.79 135.00 130.47 1m3s n PRO 146 Ca -0.03 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 1m3s n PRO 146 Cb 0.55 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 1m3s n PRO 146 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 1m3s n MET 147 N -1.33 0.00 -0.35 -0.52 1.56 -1.26 -1.31 117.12 113.92 1m3s n MET 147 Ca 0.07 0.00 0.09 0.00 -0.27 0.00 0.00 57.70 57.59 1m3s n MET 147 Cb 0.53 0.00 0.23 0.00 2.15 0.00 0.00 33.22 36.12 1m3s n MET 147 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1m3s n GLY 148 N -0.57 4.13 0.06 -5.12 0.00 -1.26 -4.73 105.19 97.71 1m3s n GLY 148 Ca 0.00 -1.01 -0.11 0.00 0.00 0.00 0.00 46.02 44.90 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 1.42 -0.04 -0.39 1.61 0.02 -1.50 -2.21 113.55 112.46 1m3s h SER 149 Ca 0.00 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.01 1m3s h SER 149 Cb 1.30 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.83 1m3s h SER 149 CO 0.16 -0.01 0.15 0.25 -1.14 0.00 0.00 176.83 176.24 1m3s h LEU 150 N 0.01 0.17 -0.59 5.07 5.85 -1.85 -0.54 115.31 123.44 1m3s h LEU 150 Ca 0.03 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.83 1m3s h LEU 150 Cb 0.04 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 1m3s h LEU 150 CO -0.06 0.13 0.33 0.15 -0.34 0.00 0.00 178.44 178.65 1m3s h PHE 151 N 0.31 0.60 -0.59 1.25 3.57 -1.85 -0.49 116.94 119.75 1m3s h PHE 151 Ca 0.18 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 1m3s h PHE 151 Cb 0.14 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 1m3s h PHE 151 CO -0.14 0.31 0.26 0.93 -2.23 0.00 0.00 178.31 177.44 1m3s h GLU 152 N 0.62 0.86 -0.79 1.11 5.08 -0.83 -0.04 114.58 120.59 1m3s h GLU 152 Ca 0.25 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 1m3s h GLU 152 Cb 0.12 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 1m3s h GLU 152 CO -0.15 0.71 0.32 1.96 -1.00 0.00 0.00 179.01 180.86 1m3s h GLN 153 N 0.80 1.18 -0.50 2.33 4.20 -0.91 -2.06 115.11 120.16 1m3s h GLN 153 Ca 0.20 -0.21 -0.10 0.00 0.06 0.00 0.00 58.65 58.60 1m3s h GLN 153 Cb 0.15 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 1m3s h GLN 153 CO -0.02 0.95 -0.10 1.15 -0.67 0.00 0.00 178.83 180.14 1m3s h THR 154 N 1.15 1.26 -0.36 -0.54 2.02 -0.67 -1.59 112.91 114.19 1m3s h THR 154 Ca 0.27 -1.21 0.03 0.00 0.77 0.00 0.00 66.41 66.26 1m3s h THR 154 Cb 0.21 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 1m3s h THR 154 CO -0.02 0.42 0.17 0.25 0.37 0.00 0.00 175.52 176.71 1m3s h LEU 155 N 0.83 0.23 -0.25 2.58 5.85 -0.65 0.61 115.31 124.51 1m3s h LEU 155 Ca 0.14 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.89 1m3s h LEU 155 Cb 0.62 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 1m3s h LEU 155 CO 0.04 0.17 0.13 0.25 -0.34 0.00 0.00 178.44 178.70 1m3s h LEU 156 N 0.35 0.21 -0.74 2.25 5.85 -1.01 0.04 115.31 122.26 1m3s h LEU 156 Ca 0.15 0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.75 1m3s h LEU 156 Cb 0.08 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1m3s h LEU 156 CO -0.12 0.16 -0.48 -0.07 -0.34 0.00 0.00 178.44 177.59 1m3s h LEU 157 N 0.28 0.40 -0.31 2.25 3.38 -0.92 -1.39 115.31 119.00 1m3s h LEU 157 Ca 0.10 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 1m3s h LEU 157 Cb 0.01 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1m3s h LEU 157 CO -0.06 0.82 -0.16 0.15 0.09 0.00 0.00 178.44 179.28 1m3s h PHE 158 N 0.30 0.77 -0.43 1.13 3.57 -0.61 -1.60 116.94 120.06 1m3s h PHE 158 Ca 0.02 -0.19 0.04 0.00 3.53 0.00 0.00 57.97 61.37 1m3s h PHE 158 Cb 0.95 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.47 1m3s h PHE 158 CO 0.03 0.89 0.20 1.88 -2.23 0.00 0.00 178.31 179.07 1m3s h TYR 159 N 0.42 0.36 0.00 0.41 0.99 -0.60 -0.63 116.97 117.92 1m3s h TYR 159 Ca 0.07 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.79 1m3s h TYR 159 Cb 0.69 -0.10 -0.00 0.00 1.00 0.00 0.00 36.73 38.32 1m3s h TYR 159 CO 0.06 0.17 -0.13 -0.44 -0.00 0.00 0.00 178.16 177.81 1m3s h ASP 160 N 0.39 0.00 0.20 3.88 3.45 -1.15 -0.82 116.42 122.38 1m3s h ASP 160 Ca 0.19 0.00 -0.28 0.00 0.43 0.00 0.00 57.03 57.37 1m3s h ASP 160 Cb 0.13 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 38.92 1m3s h ASP 160 CO -0.16 0.13 -1.16 0.00 -1.57 0.00 0.00 179.24 176.49 1m3s h ALA 161 N 1.87 0.10 -0.75 3.45 0.00 -0.64 -2.04 119.26 121.25 1m3s h ALA 161 Ca -0.00 -0.76 -0.01 0.00 0.00 0.00 0.00 54.91 54.14 1m3s h ALA 161 Cb 0.45 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1m3s h ALA 161 CO 0.02 0.74 0.42 0.28 0.00 0.00 0.00 179.25 180.71 1m3s h VAL 162 N 0.27 1.22 -0.48 0.00 2.07 -0.51 -0.06 116.25 118.76 1m3s h VAL 162 Ca -0.15 -0.54 0.09 0.00 0.82 0.00 0.00 66.70 66.92 1m3s h VAL 162 Cb 1.83 0.22 -0.08 0.00 -1.52 0.00 0.00 31.29 31.74 1m3s h VAL 162 CO 0.22 0.24 -0.01 0.40 0.02 0.00 0.00 177.57 178.44 1m3s h ILE 163 N 1.03 0.61 -0.70 4.57 1.08 -1.09 0.41 117.51 123.42 1m3s h ILE 163 Ca 0.26 -0.03 0.03 0.00 -0.39 0.00 0.00 64.86 64.73 1m3s h ILE 163 Cb 0.01 0.50 -0.04 0.00 -3.07 0.00 0.00 36.82 34.23 1m3s h ILE 163 CO -0.04 0.02 0.44 -0.07 -0.69 0.00 0.00 178.15 177.81 1m3s h LEU 164 N 0.10 0.73 -1.00 1.44 3.38 -0.47 -0.55 115.31 118.93 1m3s h LEU 164 Ca 0.24 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 1m3s h LEU 164 Cb 0.36 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1m3s h LEU 164 CO -0.41 0.51 0.25 0.50 0.09 0.00 0.00 178.44 179.38 1m3s h LYS 165 N 0.87 0.96 -0.60 1.13 1.63 -0.39 0.06 116.57 120.23 1m3s h LYS 165 Ca 0.28 -0.16 -0.07 0.00 -0.85 0.00 0.00 60.65 59.85 1m3s h LYS 165 Cb 0.01 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.46 1m3s h LYS 165 CO -0.11 0.80 0.10 -0.07 -3.45 0.00 0.00 179.45 176.72 1m3s h LEU 166 N 0.94 0.95 -0.47 5.20 3.38 -0.48 0.04 115.31 124.88 1m3s h LEU 166 Ca 0.22 -0.26 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1m3s h LEU 166 Cb 0.20 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1m3s h LEU 166 CO -0.02 0.96 0.25 0.24 0.09 0.00 0.00 178.44 179.96 1m3s h MET 167 N 0.89 0.48 0.12 1.13 2.86 -0.38 -0.46 114.93 119.57 1m3s h MET 167 Ca 0.18 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 1m3s h MET 167 Cb 0.41 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.97 1m3s h MET 167 CO 0.01 0.32 -0.06 1.49 1.06 0.00 0.00 176.91 179.73 1m3s h GLU 168 N 0.49 -0.15 -0.76 1.72 4.81 -0.64 0.21 114.58 120.26 1m3s h GLU 168 Ca 0.20 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.51 1m3s h GLU 168 Cb 0.08 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.45 1m3s h GLU 168 CO -0.12 -0.07 0.50 0.87 -0.73 0.00 0.00 179.01 179.46 1m3s h LYS 169 N -0.19 0.76 -0.05 1.92 1.79 -0.63 -1.65 116.57 118.52 1m3s h LYS 169 Ca -0.02 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1m3s h LYS 169 Cb 0.15 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.63 1m3s h LYS 169 CO 0.03 0.51 0.00 1.63 -1.08 0.00 0.00 179.45 180.53 1m3s n LYS 170 N -4.49 1.56 -3.46 3.15 5.02 -0.21 -4.93 118.16 114.80 1m3s n LYS 170 Ca 0.12 -0.83 -0.22 0.00 -2.02 0.00 0.00 58.31 55.36 1m3s n LYS 170 Cb 0.24 -1.45 0.07 0.00 -0.02 0.00 0.00 35.03 33.87 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 1.12 -0.42 3.90 0.72 0.00 -0.41 -5.02 105.19 105.08 1m3s n GLY 171 Ca 0.19 0.17 -0.33 0.00 0.00 0.00 0.00 46.02 46.05 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 -6.73 4.33 0.08 0.99 1.43 0.61 -5.02 118.68 114.37 1m3s s LEU 172 Ca 0.52 0.33 0.09 0.00 -1.03 0.00 0.00 54.13 54.03 1m3s s LEU 172 Cb -0.23 -2.61 -0.03 0.00 0.03 0.00 0.00 46.19 43.35 1m3s s LEU 172 CO 0.64 0.26 -0.23 1.51 0.23 0.00 0.00 176.35 178.76 1m3s s ASP 173 N -1.96 2.74 0.33 2.29 3.84 -1.26 -4.49 116.67 118.16 1m3s s ASP 173 Ca 0.27 -0.64 0.05 0.00 -0.00 0.00 0.00 52.55 52.24 1m3s s ASP 173 Cb -0.13 -0.19 0.69 0.00 -1.38 0.00 0.00 42.92 41.92 1m3s s ASP 173 CO 0.19 0.13 1.88 -1.28 -0.00 0.00 0.00 175.17 176.09 1m3s h SER 174 N 4.35 0.77 0.65 2.11 0.87 -1.99 -0.77 113.55 119.53 1m3s h SER 174 Ca -0.46 0.03 -0.08 0.00 -1.23 0.00 0.00 61.79 60.05 1m3s h SER 174 Cb 1.17 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.99 1m3s h SER 174 CO 0.41 0.43 -0.36 -0.08 -0.53 0.00 0.00 176.83 176.69 1m3s h GLU 175 N 0.83 0.00 0.00 2.24 4.81 -2.05 -3.34 114.58 117.07 1m3s h GLU 175 Ca 0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.66 1m3s h GLU 175 Cb 0.51 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1m3s h GLU 175 CO -0.20 0.36 0.00 0.25 -0.73 0.00 0.00 179.01 178.70 1m3s n THR 176 N -3.70 0.17 -1.80 0.32 -2.24 -1.00 -5.05 114.28 100.98 1m3s n THR 176 Ca -0.01 -0.40 -0.42 0.00 -2.27 0.00 0.00 64.05 60.95 1m3s n THR 176 Cb 0.46 1.18 -0.03 0.00 -2.10 0.00 0.00 70.33 69.84 1m3s n THR 176 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1m3s s MET 177 N -0.17 4.16 -0.08 -0.78 1.75 -0.33 -4.94 119.30 118.92 1m3s s MET 177 Ca 0.00 2.50 -0.30 0.00 -1.25 0.00 0.00 55.69 56.65 1m3s s MET 177 Cb 0.00 -3.32 -0.03 0.00 2.84 0.00 0.00 34.83 34.32 1m3s s MET 177 CO 0.00 -0.74 1.17 0.12 -0.65 0.00 0.00 175.02 174.92 1m3s s PHE 178 N 1.84 3.22 -0.07 4.11 5.36 -1.26 -5.03 117.98 126.15 1m3s s PHE 178 Ca 0.75 1.27 0.03 0.00 -0.96 0.00 0.00 56.93 58.02 1m3s s PHE 178 Cb -0.46 -3.39 -0.02 0.00 -0.34 0.00 0.00 43.02 38.82 1m3s s PHE 178 CO 0.33 -1.14 -0.16 0.95 -1.46 0.00 0.00 175.22 173.74 1m3s s THR 179 N 2.31 2.86 -1.30 0.12 -4.23 -1.26 -4.73 115.64 109.42 1m3s s THR 179 Ca 0.54 -0.78 -0.12 0.00 -1.18 0.00 0.00 61.69 60.16 1m3s s THR 179 Cb -0.23 -2.13 0.14 0.00 1.34 0.00 0.00 72.50 71.62 1m3s s THR 179 CO 0.20 0.57 1.84 1.41 -0.54 0.00 0.00 174.62 178.11 1m3s n HIS 180 N 2.72 3.57 -4.04 3.99 8.25 -0.17 -4.97 115.22 124.56 1m3s n HIS 180 Ca -0.17 -2.94 -0.24 0.00 -0.26 0.00 0.00 57.72 54.10 1m3s n HIS 180 Cb 0.52 -2.15 -0.04 0.00 1.12 0.00 0.00 29.99 29.44 1m3s n HIS 180 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1m3s s HIS 181 N 1.39 3.28 0.44 4.41 -3.43 -1.26 -4.24 115.29 115.88 1m3s s HIS 181 Ca 0.43 -0.00 -0.25 0.00 -0.80 0.00 0.00 55.06 54.44 1m3s s HIS 181 Cb 0.08 -1.54 -0.09 0.00 -1.43 0.00 0.00 32.58 29.60 1m3s s HIS 181 CO -0.01 0.51 1.26 0.00 -2.00 0.00 0.00 174.74 174.50 1m3s n ALA 182 N -0.74 1.24 -0.84 -1.38 0.00 -1.26 -4.95 120.51 112.58 1m3s n ALA 182 Ca -0.08 0.23 0.01 0.00 0.00 0.00 0.00 53.44 53.60 1m3s n ALA 182 Cb 0.56 -2.26 0.01 0.00 0.00 0.00 0.00 19.45 17.75 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 0.04 0.72 -0.35 0.00 2.04 -1.26 -4.82 115.26 111.62 1m3s n ASN 183 Ca 0.07 -1.54 0.11 0.00 -0.44 0.00 0.00 54.58 52.79 1m3s n ASN 183 Cb 0.41 -0.05 0.06 0.00 -2.53 0.00 0.00 39.78 37.66 1m3s n ASN 183 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 1m3s n LEU 184 N -0.23 1.62 -0.16 -4.53 4.77 -1.26 -5.35 117.00 111.85 1m3s n LEU 184 Ca 0.01 -0.59 0.02 0.00 -0.03 0.00 0.00 56.01 55.42 1m3s n LEU 184 Cb 0.46 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.54 1m3s n LEU 184 CO 0.00 0.31 0.31 -0.62 -1.33 0.00 0.00 177.39 176.07