#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rrg h ASN 3 N 0.00 0.73 -0.23 1.61 -1.24 -1.87 -3.04 115.58 111.54 1rrg h ASN 3 Ca 0.00 -0.76 0.07 0.00 0.71 0.00 0.00 56.30 56.32 1rrg h ASN 3 Cb 0.00 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 38.80 1rrg h ASN 3 CO 0.00 1.59 0.35 0.16 -1.29 0.00 0.00 177.43 178.23 1rrg h ILE 4 N 0.15 0.28 0.01 2.57 3.07 -2.00 0.62 117.51 122.22 1rrg h ILE 4 Ca -0.21 0.00 -0.28 0.00 1.55 0.00 0.00 64.86 65.92 1rrg h ILE 4 Cb 2.06 0.70 -0.04 0.00 -0.27 0.00 0.00 36.82 39.27 1rrg h ILE 4 CO 0.25 0.00 -1.58 -0.26 -1.05 0.00 0.00 178.15 175.51 1rrg h PHE 5 N 0.00 0.03 -0.46 0.16 0.04 -1.85 -3.05 116.94 111.81 1rrg h PHE 5 Ca 0.11 -0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.78 1rrg h PHE 5 Cb 0.80 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.94 1rrg h PHE 5 CO 0.00 1.04 -0.05 0.00 -0.60 0.00 0.00 178.31 178.70 1rrg h ALA 6 N 0.96 0.62 0.20 2.45 0.00 0.19 -2.71 119.26 120.97 1rrg h ALA 6 Ca -0.24 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1rrg h ALA 6 Cb 1.97 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 1rrg h ALA 6 CO 0.09 0.47 -0.18 -0.91 0.00 0.00 0.00 179.25 178.72 1rrg h ASN 7 N 0.68 -0.46 -0.85 0.00 2.35 -0.70 -1.37 115.58 115.23 1rrg h ASN 7 Ca 0.12 0.04 0.13 0.00 -0.55 0.00 0.00 56.30 56.04 1rrg h ASN 7 Cb 0.57 0.16 -0.14 0.00 0.05 0.00 0.00 38.32 38.96 1rrg h ASN 7 CO 0.03 -0.27 -0.40 -0.07 -1.65 0.00 0.00 177.43 175.07 1rrg h LEU 8 N -0.39 -1.46 -0.19 1.61 3.38 -1.38 0.23 115.31 117.11 1rrg h LEU 8 Ca -0.00 0.29 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1rrg h LEU 8 Cb 0.36 0.73 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1rrg h LEU 8 CO -0.03 -0.29 -0.03 0.49 0.09 0.00 0.00 178.44 178.66 1rrg n PHE 9 N -5.43 0.00 0.25 1.13 3.72 -1.04 -3.65 117.46 112.43 1rrg n PHE 9 Ca 0.07 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.59 1rrg n PHE 9 Cb 0.37 -0.10 0.61 0.00 -0.94 0.00 0.00 39.48 39.41 1rrg n PHE 9 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1rrg h LYS 10 N 0.46 0.00 0.00 -1.08 3.64 0.63 -1.66 116.57 118.55 1rrg h LYS 10 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1rrg h LYS 10 Cb 0.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1rrg h LYS 10 CO 0.00 0.16 -0.09 0.78 -2.27 0.00 0.00 179.45 178.03 1rrg h GLY 11 N 1.46 0.00 -1.95 5.01 0.00 -1.66 -3.19 103.07 102.74 1rrg h GLY 11 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1rrg h GLY 11 CO 0.02 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.60 1rrg n LEU 12 N -2.30 2.85 -4.79 3.11 4.32 -0.63 -4.96 117.00 114.60 1rrg n LEU 12 Ca 0.05 -1.41 -0.37 0.00 -0.02 0.00 0.00 56.01 54.26 1rrg n LEU 12 Cb 0.44 -0.35 -0.06 0.00 -1.62 0.00 0.00 43.42 41.83 1rrg n LEU 12 CO 0.31 0.71 0.61 -0.36 -1.22 0.00 0.00 177.39 177.44 1rrg s PHE 13 N -1.31 3.66 0.00 -1.77 0.08 -1.21 -4.91 117.98 112.52 1rrg s PHE 13 Ca 0.36 1.70 0.00 0.00 0.12 0.00 0.00 56.93 59.11 1rrg s PHE 13 Cb 0.19 -2.86 0.00 0.00 -0.57 0.00 0.00 43.02 39.78 1rrg s PHE 13 CO 0.25 0.21 0.00 0.41 -0.10 0.00 0.00 175.22 175.99 1rrg n GLY 14 N 0.50 2.51 3.55 4.36 0.00 -1.26 -5.06 105.19 109.80 1rrg n GLY 14 Ca 0.02 -0.88 -0.34 0.00 0.00 0.00 0.00 46.02 44.82 1rrg n GLY 14 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1rrg s LYS 15 N -2.00 2.09 0.00 1.61 2.20 -1.26 -4.70 119.74 117.68 1rrg s LYS 15 Ca 0.00 1.22 0.00 0.00 -0.36 0.00 0.00 55.97 56.83 1rrg s LYS 15 Cb 0.00 -4.60 0.00 0.00 -1.51 0.00 0.00 37.83 31.72 1rrg s LYS 15 CO 0.00 -3.36 0.00 0.36 -0.36 0.00 0.00 175.35 171.99 1rrg n LYS 16 N 9.01 0.00 -3.30 4.03 2.85 -1.26 -5.11 118.16 124.38 1rrg n LYS 16 Ca 0.36 0.00 -0.44 0.00 -1.05 0.00 0.00 58.31 57.19 1rrg n LYS 16 Cb 0.53 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.84 1rrg n LYS 16 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1rrg s GLU 17 N -0.51 3.06 0.26 -1.58 2.56 -1.26 -4.69 118.70 116.54 1rrg s GLU 17 Ca 0.00 -0.99 -0.03 0.00 0.00 0.00 0.00 54.97 53.95 1rrg s GLU 17 Cb 0.00 -4.06 -0.05 0.00 2.00 0.00 0.00 34.13 32.02 1rrg s GLU 17 CO 0.00 -1.01 0.49 -1.64 -0.56 0.00 0.00 175.26 172.54 1rrg s MET 18 N 2.12 3.58 -0.01 4.30 -1.94 0.50 -4.95 119.30 122.90 1rrg s MET 18 Ca 0.10 -0.14 0.02 0.00 -1.71 0.00 0.00 55.69 53.96 1rrg s MET 18 Cb -0.20 -2.72 0.00 0.00 2.01 0.00 0.00 34.83 33.92 1rrg s MET 18 CO 0.11 0.28 -0.06 0.50 -0.01 0.00 0.00 175.02 175.84 1rrg s ARG 19 N -3.50 0.54 -0.24 2.03 6.06 -1.13 -1.54 118.95 121.17 1rrg s ARG 19 Ca 0.42 -0.19 0.00 0.00 -2.50 0.00 0.00 55.73 53.46 1rrg s ARG 19 Cb -0.11 -0.54 0.06 0.00 0.06 0.00 0.00 34.95 34.43 1rrg s ARG 19 CO 0.30 0.09 -0.02 0.42 -2.50 0.00 0.00 175.30 173.58 1rrg s ILE 20 N 0.08 1.33 -0.10 4.11 1.01 -0.49 -1.35 121.20 125.79 1rrg s ILE 20 Ca -0.01 -1.16 -0.25 0.00 0.00 0.00 0.00 60.65 59.23 1rrg s ILE 20 Cb -0.05 -1.68 -0.03 0.00 0.01 0.00 0.00 42.46 40.71 1rrg s ILE 20 CO -0.00 -0.19 0.81 -0.76 0.00 0.00 0.00 174.94 174.80 1rrg s LEU 21 N 1.48 4.26 -0.32 2.97 1.43 -0.70 -1.59 118.68 126.21 1rrg s LEU 21 Ca -0.03 1.26 0.03 0.00 -1.03 0.00 0.00 54.13 54.37 1rrg s LEU 21 Cb -0.18 -3.24 0.09 0.00 0.03 0.00 0.00 46.19 42.89 1rrg s LEU 21 CO -0.08 -0.27 0.01 -0.32 0.23 0.00 0.00 176.35 175.92 1rrg s MET 22 N 1.44 1.65 0.40 1.70 -2.45 -0.07 0.04 119.30 122.01 1rrg s MET 22 Ca 0.40 -1.68 0.07 0.00 -1.25 0.00 0.00 55.69 53.23 1rrg s MET 22 Cb -0.18 -3.06 -0.06 0.00 1.25 0.00 0.00 34.83 32.78 1rrg s MET 22 CO 0.17 -0.84 0.11 0.14 1.05 0.00 0.00 175.02 175.66 1rrg s VAL 23 N 0.99 2.26 0.00 10.11 -7.23 -0.97 -3.44 120.40 122.12 1rrg s VAL 23 Ca 0.05 -1.82 0.00 0.00 -1.81 0.00 0.00 61.98 58.41 1rrg s VAL 23 Cb -0.19 -2.98 0.00 0.00 0.56 0.00 0.00 36.38 33.77 1rrg s VAL 23 CO -0.08 -0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.30 1rrg n GLY 24 N -1.13 1.35 3.60 2.32 0.00 -1.26 -2.22 105.19 107.86 1rrg n GLY 24 Ca -0.03 -1.05 -0.29 0.00 0.00 0.00 0.00 46.02 44.66 1rrg n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rrg s LEU 25 N 0.00 1.41 0.33 0.99 1.02 -1.26 -0.80 118.68 120.38 1rrg s LEU 25 Ca 0.00 1.42 -0.28 0.00 0.02 0.00 0.00 54.13 55.29 1rrg s LEU 25 Cb 0.00 -3.53 -0.10 0.00 0.02 0.00 0.00 46.19 42.58 1rrg s LEU 25 CO 0.00 -3.54 1.26 1.51 0.02 0.00 0.00 176.35 175.60 1rrg s ASP 26 N -3.00 6.80 -0.69 2.29 -4.77 -1.26 -3.12 116.67 112.92 1rrg s ASP 26 Ca 0.66 2.60 0.00 0.00 -3.30 0.00 0.00 52.55 52.51 1rrg s ASP 26 Cb -0.21 -2.64 0.00 0.00 -1.09 0.00 0.00 42.92 38.97 1rrg s ASP 26 CO 0.61 -0.51 0.00 0.00 0.70 0.00 0.00 175.17 175.97 1rrg n ALA 27 N 0.76 -0.13 0.19 2.11 0.00 -1.26 -4.93 120.51 117.25 1rrg n ALA 27 Ca 0.00 0.10 0.09 0.00 0.00 0.00 0.00 53.44 53.63 1rrg n ALA 27 Cb 0.43 -1.02 0.19 0.00 0.00 0.00 0.00 19.45 19.04 1rrg n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rrg h ALA 28 N 0.09 0.88 0.00 0.00 0.00 -1.89 -3.47 119.26 114.87 1rrg h ALA 28 Ca -0.15 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1rrg h ALA 28 Cb 0.63 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1rrg h ALA 28 CO 0.20 0.27 0.00 0.41 0.00 0.00 0.00 179.25 180.13 1rrg n GLY 29 N 0.96 1.72 0.27 0.00 0.00 -1.26 -4.46 105.19 102.42 1rrg n GLY 29 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 1rrg n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rrg h LYS 30 N 0.10 0.94 0.00 1.61 1.57 -1.91 -2.24 116.57 116.65 1rrg h LYS 30 Ca 0.00 -0.32 -0.12 0.00 -1.87 0.00 0.00 60.65 58.34 1rrg h LYS 30 Cb 0.00 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1rrg h LYS 30 CO 0.00 0.97 -0.59 1.15 -0.57 0.00 0.00 179.45 180.42 1rrg h THR 31 N 0.81 1.37 -0.33 -0.16 2.02 -1.99 -2.64 112.91 111.99 1rrg h THR 31 Ca 0.14 -2.04 -0.16 0.00 0.77 0.00 0.00 66.41 65.12 1rrg h THR 31 Cb 0.57 2.12 -0.00 0.00 -1.74 0.00 0.00 68.15 69.09 1rrg h THR 31 CO 0.03 0.57 -0.44 0.74 0.37 0.00 0.00 175.52 176.79 1rrg h THR 32 N 0.00 1.28 -0.30 3.16 2.02 -1.93 -1.42 112.91 115.72 1rrg h THR 32 Ca -0.01 -1.62 -0.06 0.00 0.77 0.00 0.00 66.41 65.49 1rrg h THR 32 Cb 1.07 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.96 1rrg h THR 32 CO 0.08 0.53 -0.04 0.40 0.37 0.00 0.00 175.52 176.86 1rrg h ILE 33 N 0.69 1.27 -0.44 3.11 2.04 -1.38 -1.49 117.51 121.31 1rrg h ILE 33 Ca 0.04 -1.04 -0.01 0.00 1.00 0.00 0.00 64.86 64.85 1rrg h ILE 33 Cb 1.03 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 38.44 1rrg h ILE 33 CO 0.10 0.33 0.23 -0.07 0.00 0.00 0.00 178.15 178.75 1rrg h LEU 34 N 0.33 0.56 -1.15 1.44 3.38 -1.40 -2.54 115.31 115.93 1rrg h LEU 34 Ca 0.08 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1rrg h LEU 34 Cb 0.51 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1rrg h LEU 34 CO 0.02 0.50 0.02 0.22 0.09 0.00 0.00 178.44 179.29 1rrg h TYR 35 N 0.57 0.63 0.00 1.13 3.20 -1.17 -2.97 116.97 118.36 1rrg h TYR 35 Ca 0.15 -0.07 -0.06 0.00 3.14 0.00 0.00 58.73 61.90 1rrg h TYR 35 Cb 0.08 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 1rrg h TYR 35 CO -0.02 0.60 -0.27 0.87 -1.64 0.00 0.00 178.16 177.70 1rrg h LYS 36 N 0.58 0.00 -0.08 1.82 1.79 -0.93 -3.06 116.57 116.69 1rrg h LYS 36 Ca 0.12 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.48 1rrg h LYS 36 Cb 0.34 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.98 1rrg h LYS 36 CO 0.01 0.27 -0.48 -0.07 -1.08 0.00 0.00 179.45 178.11 1rrg h LEU 37 N 0.00 0.23 -1.76 2.94 3.38 -1.29 -3.31 115.31 115.49 1rrg h LEU 37 Ca -0.00 -0.11 -0.42 0.00 0.09 0.00 0.00 57.88 57.44 1rrg h LEU 37 Cb 0.53 -0.06 0.06 0.00 0.09 0.00 0.00 40.66 41.27 1rrg h LEU 37 CO 0.04 0.68 -0.83 0.29 0.09 0.00 0.00 178.44 178.70 1rrg n LYS 38 N -3.97 -4.97 0.00 1.13 5.02 -1.16 -0.56 118.16 113.65 1rrg n LYS 38 Ca -0.02 0.63 0.12 0.00 -2.02 0.00 0.00 58.31 57.01 1rrg n LYS 38 Cb 0.52 -5.20 0.15 0.00 -0.02 0.00 0.00 35.03 30.48 1rrg n LYS 38 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1rrg n LEU 39 N -4.28 1.08 0.00 -0.35 4.32 -1.26 -4.56 117.00 111.96 1rrg n LEU 39 Ca -0.29 -0.35 0.00 0.00 -0.02 0.00 0.00 56.01 55.35 1rrg n LEU 39 Cb 0.67 -0.10 0.00 0.00 -1.62 0.00 0.00 43.42 42.37 1rrg n LEU 39 CO 0.68 0.23 0.00 0.61 -1.22 0.00 0.00 177.39 177.69 1rrg n GLY 40 N 1.44 -0.31 3.71 -0.72 0.00 -1.26 -4.63 105.19 103.42 1rrg n GLY 40 Ca 0.08 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 1rrg n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rrg s GLU 41 N -1.90 4.27 -0.40 1.61 2.02 -1.26 -4.98 118.70 118.06 1rrg s GLU 41 Ca 0.00 2.18 -0.24 0.00 0.02 0.00 0.00 54.97 56.93 1rrg s GLU 41 Cb 0.00 -3.29 0.02 0.00 0.10 0.00 0.00 34.13 30.95 1rrg s GLU 41 CO 0.00 -0.54 0.83 0.42 0.02 0.00 0.00 175.26 176.00 1rrg s ILE 42 N 1.42 4.64 -0.11 -1.63 1.01 -1.26 -4.48 121.20 120.79 1rrg s ILE 42 Ca 0.67 0.80 -0.00 0.00 0.00 0.00 0.00 60.65 62.12 1rrg s ILE 42 Cb -0.39 -4.30 -0.02 0.00 0.01 0.00 0.00 42.46 37.76 1rrg s ILE 42 CO 0.30 -0.60 -0.09 0.68 0.00 0.00 0.00 174.94 175.23 1rrg s VAL 43 N 3.34 3.42 -0.08 2.92 -7.23 -0.96 -4.94 120.40 116.87 1rrg s VAL 43 Ca 0.33 -0.55 -0.05 0.00 -1.81 0.00 0.00 61.98 59.90 1rrg s VAL 43 Cb -0.12 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.35 1rrg s VAL 43 CO 0.20 0.54 0.15 -0.89 -0.31 0.00 0.00 175.10 174.79 1rrg s THR 44 N -0.06 5.42 0.06 5.32 2.01 -1.26 -2.12 115.64 125.00 1rrg s THR 44 Ca -0.01 0.06 -0.05 0.00 0.31 0.00 0.00 61.69 62.00 1rrg s THR 44 Cb -0.14 -3.41 -0.02 0.00 0.01 0.00 0.00 72.50 68.94 1rrg s THR 44 CO 0.03 0.52 0.08 0.42 -0.69 0.00 0.00 174.62 174.98 1rrg s THR 45 N -1.12 0.17 -0.41 -0.82 -4.23 -0.96 -5.02 115.64 103.25 1rrg s THR 45 Ca 0.19 -1.39 0.03 0.00 -1.18 0.00 0.00 61.69 59.34 1rrg s THR 45 Cb -0.12 -1.27 0.12 0.00 1.34 0.00 0.00 72.50 72.57 1rrg s THR 45 CO 0.09 -0.77 0.16 -0.63 -0.54 0.00 0.00 174.62 172.93 1rrg s ILE 46 N -3.50 1.94 0.24 2.99 1.01 -1.26 -1.55 121.20 121.06 1rrg s ILE 46 Ca 0.03 -2.50 -0.07 0.00 0.00 0.00 0.00 60.65 58.11 1rrg s ILE 46 Cb 0.04 -2.39 0.23 0.00 0.01 0.00 0.00 42.46 40.35 1rrg s ILE 46 CO -0.09 -0.73 1.90 -0.65 0.00 0.00 0.00 174.94 175.38 1rrg h PRO 47 N 7.20 1.24 -3.48 2.79 0.11 -1.94 -3.44 132.00 134.47 1rrg h PRO 47 Ca -0.06 -0.09 -0.15 0.00 0.11 0.00 0.00 66.00 65.81 1rrg h PRO 47 Cb 0.96 -0.27 -0.21 0.00 0.11 0.00 0.00 31.00 31.59 1rrg h PRO 47 CO 0.55 0.84 -0.49 0.99 -0.21 0.00 0.00 178.00 179.68 1rrg s THR 48 N -6.06 0.07 0.01 -1.15 2.01 -1.26 -5.06 115.64 104.21 1rrg s THR 48 Ca -0.13 -0.61 -0.37 0.00 0.31 0.00 0.00 61.69 60.88 1rrg s THR 48 Cb 0.17 -0.42 -0.16 0.00 0.01 0.00 0.00 72.50 72.10 1rrg s THR 48 CO 0.81 -0.34 1.43 -0.38 -0.69 0.00 0.00 174.62 175.45 1rrg n ILE 49 N 1.61 0.07 -1.11 1.82 -0.00 -1.26 0.54 119.36 121.03 1rrg n ILE 49 Ca -0.22 -0.01 -0.04 0.00 -0.00 0.00 0.00 62.75 62.48 1rrg n ILE 49 Cb 0.56 -0.91 -0.02 0.00 -0.00 0.00 0.00 39.64 39.27 1rrg n ILE 49 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1rrg n GLY 50 N 2.88 0.67 2.75 7.39 0.00 -1.26 -4.98 105.19 112.64 1rrg n GLY 50 Ca 0.20 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 1rrg n GLY 50 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1rrg s PHE 51 N -2.13 2.12 -0.23 1.61 5.36 0.19 -5.10 117.98 119.81 1rrg s PHE 51 Ca 0.00 -2.34 -0.19 0.00 -0.96 0.00 0.00 56.93 53.43 1rrg s PHE 51 Cb 0.00 -1.98 -0.03 0.00 -0.34 0.00 0.00 43.02 40.67 1rrg s PHE 51 CO 0.00 -0.82 0.56 -0.80 -1.46 0.00 0.00 175.22 172.71 1rrg s ASN 52 N 0.67 6.56 -0.12 6.13 0.01 -1.26 -3.07 114.94 123.85 1rrg s ASN 52 Ca 0.15 0.67 0.02 0.00 -0.71 0.00 0.00 52.86 52.99 1rrg s ASN 52 Cb -0.22 -2.31 0.01 0.00 0.41 0.00 0.00 41.25 39.14 1rrg s ASN 52 CO -0.06 -0.27 -0.17 -0.69 -1.51 0.00 0.00 177.10 174.40 1rrg s VAL 53 N 2.06 1.64 -0.08 1.60 1.01 -0.59 -4.49 120.40 121.55 1rrg s VAL 53 Ca 0.25 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.47 1rrg s VAL 53 Cb -0.16 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 1rrg s VAL 53 CO 0.09 0.47 0.08 -1.61 0.00 0.00 0.00 175.10 174.13 1rrg s GLU 54 N 1.00 3.19 -0.00 2.72 2.02 0.34 -2.27 118.70 125.69 1rrg s GLU 54 Ca -0.05 -0.31 0.01 0.00 0.02 0.00 0.00 54.97 54.63 1rrg s GLU 54 Cb -0.15 -2.97 0.00 0.00 0.10 0.00 0.00 34.13 31.12 1rrg s GLU 54 CO -0.03 0.72 -0.02 0.99 0.02 0.00 0.00 175.26 176.95 1rrg s THR 55 N -1.01 0.15 -0.17 3.63 2.01 -0.90 0.15 115.64 119.50 1rrg s THR 55 Ca 0.16 -0.06 0.01 0.00 0.31 0.00 0.00 61.69 62.11 1rrg s THR 55 Cb -0.12 -0.15 0.02 0.00 0.01 0.00 0.00 72.50 72.27 1rrg s THR 55 CO 0.06 0.05 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.17 1rrg s VAL 56 N 0.06 1.88 -0.26 3.82 1.01 -0.43 -2.25 120.40 124.23 1rrg s VAL 56 Ca -0.00 -0.83 -0.09 0.00 0.00 0.00 0.00 61.98 61.06 1rrg s VAL 56 Cb -0.02 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 1rrg s VAL 56 CO -0.00 0.51 0.12 -1.61 0.00 0.00 0.00 175.10 174.12 1rrg s GLU 57 N 1.32 3.82 -0.16 2.72 2.02 -1.26 0.83 118.70 127.99 1rrg s GLU 57 Ca 0.04 -0.39 -0.12 0.00 0.02 0.00 0.00 54.97 54.51 1rrg s GLU 57 Cb -0.13 -3.47 -0.07 0.00 0.10 0.00 0.00 34.13 30.56 1rrg s GLU 57 CO -0.11 -0.15 -0.11 0.98 0.02 0.00 0.00 175.26 175.89 1rrg n TYR 58 N 4.88 0.88 0.00 1.61 9.36 0.11 -4.78 117.16 129.20 1rrg n TYR 58 Ca -0.15 0.38 0.00 0.00 3.32 0.00 0.00 57.90 61.45 1rrg n TYR 58 Cb 0.52 -0.83 0.00 0.00 -0.63 0.00 0.00 39.34 38.40 1rrg n TYR 58 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1rrg n LYS 59 N -4.56 0.00 0.00 2.98 5.02 -1.26 -4.87 118.16 115.46 1rrg n LYS 59 Ca -0.14 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.28 1rrg n LYS 59 Cb 0.38 0.00 0.45 0.00 -0.02 0.00 0.00 35.03 35.84 1rrg n LYS 59 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1rrg n ASN 60 N 0.00 0.26 -4.59 4.39 6.94 -1.26 -4.73 115.26 116.26 1rrg n ASN 60 Ca 0.00 0.09 -0.39 0.00 -0.02 0.00 0.00 54.58 54.26 1rrg n ASN 60 Cb 0.00 -0.14 -0.09 0.00 -2.36 0.00 0.00 39.78 37.19 1rrg n ASN 60 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1rrg s ILE 61 N -2.96 5.16 -0.15 1.53 1.01 -1.26 -0.37 121.20 124.15 1rrg s ILE 61 Ca 0.14 0.48 -0.04 0.00 0.00 0.00 0.00 60.65 61.23 1rrg s ILE 61 Cb 0.18 -3.74 -0.03 0.00 0.01 0.00 0.00 42.46 38.89 1rrg s ILE 61 CO 0.60 0.09 -0.03 -0.44 0.00 0.00 0.00 174.94 175.17 1rrg s SER 62 N 1.66 4.87 -0.52 3.58 0.01 -0.59 0.04 113.70 122.75 1rrg s SER 62 Ca 0.15 -0.10 -0.15 0.00 1.31 0.00 0.00 55.95 57.16 1rrg s SER 62 Cb -0.16 -1.77 0.13 0.00 0.21 0.00 0.00 66.02 64.43 1rrg s SER 62 CO 0.10 0.18 0.46 -0.36 0.41 0.00 0.00 173.24 174.04 1rrg s PHE 63 N 0.28 3.29 -0.21 2.43 0.40 0.24 -1.39 117.98 123.02 1rrg s PHE 63 Ca -0.03 -1.40 -0.12 0.00 -0.60 0.00 0.00 56.93 54.78 1rrg s PHE 63 Cb -0.14 -3.71 -0.05 0.00 0.51 0.00 0.00 43.02 39.63 1rrg s PHE 63 CO 0.03 -1.01 0.24 0.99 0.70 0.00 0.00 175.22 176.17 1rrg s THR 64 N 1.55 5.32 0.04 0.64 2.01 -0.62 -1.31 115.64 123.26 1rrg s THR 64 Ca 0.04 0.38 0.05 0.00 0.31 0.00 0.00 61.69 62.47 1rrg s THR 64 Cb -0.29 -3.57 -0.02 0.00 0.01 0.00 0.00 72.50 68.62 1rrg s THR 64 CO 0.02 0.35 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.46 1rrg s VAL 65 N 0.84 1.25 -0.06 3.82 1.01 0.12 -0.89 120.40 126.49 1rrg s VAL 65 Ca 0.12 -1.01 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 1rrg s VAL 65 Cb -0.13 -1.11 0.10 0.00 0.00 0.00 0.00 36.38 35.24 1rrg s VAL 65 CO 0.04 0.08 0.83 -1.66 0.00 0.00 0.00 175.10 174.39 1rrg s TRP 66 N -0.79 -0.49 0.71 5.22 -2.14 -1.22 -0.51 118.94 119.72 1rrg s TRP 66 Ca 0.03 0.71 -0.11 0.00 2.66 0.00 0.00 56.10 59.39 1rrg s TRP 66 Cb -0.08 0.46 0.01 0.00 -3.10 0.00 0.00 33.47 30.77 1rrg s TRP 66 CO 0.01 -0.52 1.07 -0.51 -2.66 0.00 0.00 176.95 174.34 1rrg s ASP 67 N -1.52 5.35 -0.01 -2.66 1.01 -1.26 -4.04 116.67 113.53 1rrg s ASP 67 Ca -0.04 1.40 0.03 0.00 0.71 0.00 0.00 52.55 54.64 1rrg s ASP 67 Cb -0.00 -2.26 -0.00 0.00 1.01 0.00 0.00 42.92 41.67 1rrg s ASP 67 CO 0.01 -1.44 -0.08 0.54 0.21 0.00 0.00 175.17 174.41 1rrg s VAL 68 N -3.17 0.70 0.00 -1.27 0.11 0.02 -4.86 120.40 111.93 1rrg s VAL 68 Ca 0.58 -0.35 0.00 0.00 -2.93 0.00 0.00 61.98 59.28 1rrg s VAL 68 Cb -0.13 -0.60 0.00 0.00 -1.53 0.00 0.00 36.38 34.12 1rrg s VAL 68 CO 0.54 0.21 0.00 0.61 -3.33 0.00 0.00 175.10 173.13 1rrg n GLY 69 N 3.04 -2.26 0.00 6.54 0.00 -1.26 -4.24 105.19 107.01 1rrg n GLY 69 Ca -0.15 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1rrg n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rrg n GLY 70 N 0.23 0.03 0.00 -0.02 0.00 -1.26 -4.83 105.19 99.34 1rrg n GLY 70 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1rrg n GLY 70 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1rrg n ILE 74 N -0.83 0.00 -3.57 -0.61 3.06 -1.26 -5.29 119.36 110.85 1rrg n ILE 74 Ca 0.00 0.00 -0.14 0.00 -2.50 0.00 0.00 62.75 60.11 1rrg n ILE 74 Cb 0.00 -1.21 -0.06 0.00 0.54 0.00 0.00 39.64 38.91 1rrg n ILE 74 CO 0.00 0.00 0.00 -0.60 -2.50 0.00 0.00 176.55 173.45 1rrg s ARG 75 N 0.00 0.84 0.04 9.51 3.52 -1.26 -5.08 118.95 126.52 1rrg s ARG 75 Ca 0.00 0.43 -0.31 0.00 -0.13 0.00 0.00 55.73 55.72 1rrg s ARG 75 Cb 0.00 0.40 -0.18 0.00 -1.56 0.00 0.00 34.95 33.61 1rrg s ARG 75 CO 0.00 -0.21 1.39 -1.35 -0.81 0.00 0.00 175.30 174.31 1rrg h PRO 76 N 3.47 -0.96 -1.38 5.12 0.11 -2.08 -3.15 132.00 133.13 1rrg h PRO 76 Ca -0.26 0.07 0.40 0.00 0.11 0.00 0.00 66.00 66.32 1rrg h PRO 76 Cb 1.15 0.22 -0.06 0.00 0.11 0.00 0.00 31.00 32.43 1rrg h PRO 76 CO 0.27 -0.62 1.12 1.25 -0.21 0.00 0.00 178.00 179.80 1rrg h LEU 77 N -1.14 0.00 -0.78 2.35 5.85 -2.03 -0.21 115.31 119.36 1rrg h LEU 77 Ca -0.10 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.68 1rrg h LEU 77 Cb 0.79 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.76 1rrg h LEU 77 CO 0.17 0.00 0.46 -0.50 -0.34 0.00 0.00 178.44 178.23 1rrg h TRP 78 N 0.00 0.85 -0.93 1.25 4.06 -1.98 -2.65 115.95 116.55 1rrg h TRP 78 Ca 0.66 0.03 0.15 0.00 2.06 0.00 0.00 58.89 61.78 1rrg h TRP 78 Cb 2.89 -0.27 -0.09 0.00 -1.00 0.00 0.00 29.16 30.69 1rrg h TRP 78 CO 0.00 0.42 0.54 0.00 -3.56 0.00 0.00 178.44 175.84 1rrg h ARG 79 N 0.85 0.76 -0.70 0.49 3.08 -1.20 0.29 114.38 117.95 1rrg h ARG 79 Ca 0.34 -0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.43 1rrg h ARG 79 Cb 0.18 -0.17 -0.07 0.00 0.08 0.00 0.00 29.97 29.99 1rrg h ARG 79 CO -0.18 0.50 0.35 1.25 -1.07 0.00 0.00 179.97 180.83 1rrg h HIS 80 N 0.78 0.63 -0.13 3.04 -0.00 -1.64 -1.24 115.15 116.59 1rrg h HIS 80 Ca 0.50 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.88 1rrg h HIS 80 Cb 0.64 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.87 1rrg h HIS 80 CO -0.04 0.24 0.03 1.88 -0.00 0.00 0.00 177.93 180.04 1rrg h TYR 81 N 0.61 0.23 -0.84 5.26 0.05 -1.07 -3.03 116.97 118.18 1rrg h TYR 81 Ca 0.34 -0.03 0.24 0.00 0.05 0.00 0.00 58.73 59.34 1rrg h TYR 81 Cb 0.34 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 37.98 1rrg h TYR 81 CO -0.11 0.38 0.64 0.74 -1.05 0.00 0.00 178.16 178.77 1rrg h PHE 82 N 0.01 0.00 0.00 4.88 0.04 -0.01 -2.60 116.94 119.25 1rrg h PHE 82 Ca 0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1rrg h PHE 82 Cb 0.27 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.42 1rrg h PHE 82 CO 0.01 0.00 0.00 1.04 -0.60 0.00 0.00 178.31 178.76 1rrg n GLN 83 N -4.13 0.36 0.00 1.51 6.02 -0.84 -2.59 117.38 117.71 1rrg n GLN 83 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 1rrg n GLN 83 Cb 0.94 -1.06 0.00 0.00 1.02 0.00 0.00 30.24 31.15 1rrg n GLN 83 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1rrg n ASN 84 N -0.25 0.00 -4.61 1.08 4.05 -0.98 -5.08 115.26 109.47 1rrg n ASN 84 Ca 0.00 0.00 -0.43 0.00 0.45 0.00 0.00 54.58 54.60 1rrg n ASN 84 Cb 0.03 0.00 -0.03 0.00 1.23 0.00 0.00 39.78 41.01 1rrg n ASN 84 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1rrg s THR 85 N 0.00 3.29 -0.06 -0.44 2.01 -1.07 -2.86 115.64 116.52 1rrg s THR 85 Ca 0.00 0.31 -0.07 0.00 0.31 0.00 0.00 61.69 62.24 1rrg s THR 85 Cb 0.00 -3.36 -0.29 0.00 0.01 0.00 0.00 72.50 68.86 1rrg s THR 85 CO 0.00 -0.21 0.62 1.56 -0.69 0.00 0.00 174.62 175.91 1rrg h GLN 86 N 13.19 0.31 -4.17 4.92 1.08 -1.56 -3.44 115.11 125.44 1rrg h GLN 86 Ca -0.38 -0.53 -0.23 0.00 -1.45 0.00 0.00 58.65 56.06 1rrg h GLN 86 Cb 1.20 0.20 -0.23 0.00 -0.05 0.00 0.00 27.48 28.59 1rrg h GLN 86 CO 0.99 1.21 -0.72 0.20 -0.95 0.00 0.00 178.83 179.56 1rrg s GLY 87 N -5.21 0.29 -0.07 3.46 0.00 -1.22 -1.97 107.32 102.60 1rrg s GLY 87 Ca -0.16 -0.50 0.05 0.00 0.00 0.00 0.00 44.72 44.12 1rrg s GLY 87 CO 0.83 -0.54 -0.25 -2.27 0.00 0.00 0.00 173.10 170.87 1rrg s LEU 88 N -1.08 2.08 0.01 0.66 2.96 0.75 -1.72 118.68 122.34 1rrg s LEU 88 Ca -0.09 -0.53 0.06 0.00 -0.22 0.00 0.00 54.13 53.35 1rrg s LEU 88 Cb -0.07 -1.39 -0.03 0.00 0.50 0.00 0.00 46.19 45.20 1rrg s LEU 88 CO -0.00 0.21 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.46 1rrg s ILE 89 N 0.02 2.98 -0.19 6.68 1.01 0.11 -0.82 121.20 130.99 1rrg s ILE 89 Ca -0.09 -0.99 -0.01 0.00 0.00 0.00 0.00 60.65 59.55 1rrg s ILE 89 Cb -0.15 -2.24 0.05 0.00 0.01 0.00 0.00 42.46 40.13 1rrg s ILE 89 CO 0.06 0.42 -0.01 0.12 0.00 0.00 0.00 174.94 175.52 1rrg s PHE 90 N -0.88 1.49 -0.05 3.97 2.19 0.15 -2.29 117.98 122.57 1rrg s PHE 90 Ca 0.14 -1.07 -0.14 0.00 0.33 0.00 0.00 56.93 56.19 1rrg s PHE 90 Cb -0.11 -1.21 -0.05 0.00 -1.31 0.00 0.00 43.02 40.34 1rrg s PHE 90 CO 0.04 -0.63 0.37 0.54 1.83 0.00 0.00 175.22 177.37 1rrg s VAL 91 N 1.70 5.14 0.07 3.12 0.11 -0.94 -0.54 120.40 129.07 1rrg s VAL 91 Ca -0.01 0.74 0.10 0.00 -2.93 0.00 0.00 61.98 59.87 1rrg s VAL 91 Cb -0.17 -3.68 -0.03 0.00 -1.53 0.00 0.00 36.38 30.98 1rrg s VAL 91 CO -0.07 0.53 -0.26 -0.69 -3.33 0.00 0.00 175.10 171.27 1rrg s VAL 92 N -0.65 2.15 -0.82 2.04 1.01 0.48 -4.41 120.40 120.20 1rrg s VAL 92 Ca 0.22 -1.50 -0.21 0.00 0.00 0.00 0.00 61.98 60.49 1rrg s VAL 92 Cb -0.15 -1.86 0.10 0.00 0.00 0.00 0.00 36.38 34.47 1rrg s VAL 92 CO 0.11 0.27 1.08 -0.62 0.00 0.00 0.00 175.10 175.93 1rrg s ASP 93 N -1.50 6.43 0.46 3.32 -1.08 -1.26 -2.32 116.67 120.71 1rrg s ASP 93 Ca 0.12 -1.56 0.18 0.00 -0.52 0.00 0.00 52.55 50.77 1rrg s ASP 93 Cb -0.10 -2.42 1.15 0.00 -1.46 0.00 0.00 42.92 40.09 1rrg s ASP 93 CO 0.03 -1.25 1.95 0.28 0.52 0.00 0.00 175.17 176.70 1rrg h SER 94 N 9.21 0.27 1.02 -0.34 0.02 -1.76 0.58 113.55 122.55 1rrg h SER 94 Ca -0.03 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1rrg h SER 94 Cb 1.04 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.54 1rrg h SER 94 CO 1.16 0.15 0.00 -3.20 -1.14 0.00 0.00 176.83 173.80 1rrg n ASN 95 N -4.45 0.31 -4.41 3.07 4.05 -1.26 -2.61 115.26 109.96 1rrg n ASN 95 Ca 0.12 0.54 -0.45 0.00 0.45 0.00 0.00 54.58 55.25 1rrg n ASN 95 Cb 0.53 -0.62 -0.01 0.00 1.23 0.00 0.00 39.78 40.91 1rrg n ASN 95 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1rrg s ASP 96 N -3.58 6.98 0.57 1.20 -1.08 0.19 -4.79 116.67 116.16 1rrg s ASP 96 Ca 0.11 -2.86 0.35 0.00 -0.52 0.00 0.00 52.55 49.63 1rrg s ASP 96 Cb 0.14 -2.33 1.53 0.00 -1.46 0.00 0.00 42.92 40.80 1rrg s ASP 96 CO 0.49 -0.70 2.04 0.03 0.52 0.00 0.00 175.17 177.56 1rrg h ARG 97 N 7.54 0.00 -0.01 4.34 2.47 -1.80 -3.17 114.38 123.76 1rrg h ARG 97 Ca 0.22 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.75 1rrg h ARG 97 Cb 0.93 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.24 1rrg h ARG 97 CO 1.09 0.01 -0.82 1.49 0.56 0.00 0.00 179.97 182.30 1rrg h GLU 98 N 0.00 0.17 -0.22 0.04 4.81 -1.94 -3.36 114.58 114.08 1rrg h GLU 98 Ca -0.00 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1rrg h GLU 98 Cb 0.44 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1rrg h GLU 98 CO 0.00 0.89 0.00 0.54 -0.73 0.00 0.00 179.01 179.71 1rrg n ARG 99 N -3.69 2.66 0.16 1.92 1.74 -1.20 -4.58 116.66 113.69 1rrg n ARG 99 Ca -0.03 -2.54 0.03 0.00 -0.77 0.00 0.00 57.85 54.54 1rrg n ARG 99 Cb 0.77 -1.61 0.25 0.00 -1.02 0.00 0.00 32.46 30.85 1rrg n ARG 99 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 1rrg h VAL 100 N 1.45 1.10 -0.06 1.55 -1.51 -1.71 -1.71 116.25 115.35 1rrg h VAL 100 Ca 0.00 -1.81 -0.06 0.00 -1.23 0.00 0.00 66.70 63.61 1rrg h VAL 100 Cb 1.16 2.05 -0.01 0.00 -2.13 0.00 0.00 31.29 32.35 1rrg h VAL 100 CO 0.13 0.47 -0.22 0.78 -1.23 0.00 0.00 177.57 177.50 1rrg h ASN 101 N 0.00 0.10 0.01 4.19 2.35 -1.85 -0.16 115.58 120.21 1rrg h ASN 101 Ca -0.00 -0.02 -0.15 0.00 -0.55 0.00 0.00 56.30 55.57 1rrg h ASN 101 Cb 1.01 -0.03 0.01 0.00 0.05 0.00 0.00 38.32 39.36 1rrg h ASN 101 CO 0.06 0.33 -0.60 -0.33 -1.65 0.00 0.00 177.43 175.24 1rrg h GLU 102 N 0.10 0.39 -0.68 0.81 5.08 -1.72 -2.76 114.58 115.80 1rrg h GLU 102 Ca 0.02 -0.43 0.13 0.00 -1.00 0.00 0.00 59.36 58.07 1rrg h GLU 102 Cb 0.45 0.12 -0.09 0.00 0.50 0.00 0.00 28.75 29.73 1rrg h GLU 102 CO 0.03 1.10 0.21 0.00 -1.00 0.00 0.00 179.01 179.36 1rrg h ALA 103 N 0.31 0.88 -0.39 3.43 0.00 -0.79 -0.77 119.26 121.92 1rrg h ALA 103 Ca -0.08 0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1rrg h ALA 103 Cb 1.32 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 1rrg h ALA 103 CO 0.12 -0.26 0.25 -0.09 0.00 0.00 0.00 179.25 179.28 1rrg h ARG 104 N 0.35 0.50 0.27 0.00 2.43 -1.03 -0.63 114.38 116.28 1rrg h ARG 104 Ca 0.36 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 1rrg h ARG 104 Cb 0.54 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 1rrg h ARG 104 CO -0.40 0.33 -0.29 0.93 -1.51 0.00 0.00 179.97 179.03 1rrg h GLU 105 N 0.52 -0.57 -0.38 0.20 4.39 -0.88 0.19 114.58 118.04 1rrg h GLU 105 Ca 0.14 0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.90 1rrg h GLU 105 Cb -0.05 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1rrg h GLU 105 CO -0.04 -0.38 0.23 0.93 -1.16 0.00 0.00 179.01 178.59 1rrg h GLU 106 N -0.60 0.45 -0.10 2.33 4.39 -1.23 0.29 114.58 120.12 1rrg h GLU 106 Ca -0.01 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.71 1rrg h GLU 106 Cb 0.55 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 29.05 1rrg h GLU 106 CO -0.07 0.30 -0.22 1.25 -1.16 0.00 0.00 179.01 179.11 1rrg h LEU 107 N 0.47 -0.66 -1.49 1.33 7.12 -0.86 0.51 115.31 121.73 1rrg h LEU 107 Ca 0.15 0.11 -0.03 0.00 0.13 0.00 0.00 57.88 58.23 1rrg h LEU 107 Cb -0.02 0.29 -0.01 0.00 -0.53 0.00 0.00 40.66 40.39 1rrg h LEU 107 CO -0.06 -0.27 0.02 0.24 -0.13 0.00 0.00 178.44 178.24 1rrg h MET 108 N -0.29 0.35 0.00 1.25 2.86 -0.24 -0.84 114.93 118.02 1rrg h MET 108 Ca 0.09 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.59 1rrg h MET 108 Cb 0.42 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1rrg h MET 108 CO -0.27 0.36 -0.42 -0.09 1.06 0.00 0.00 176.91 177.56 1rrg h ARG 109 N 0.34 0.00 0.15 1.72 2.43 0.17 -2.44 114.38 116.76 1rrg h ARG 109 Ca 0.08 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 59.04 1rrg h ARG 109 Cb 0.21 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.78 1rrg h ARG 109 CO 0.00 0.42 -0.92 1.98 -1.51 0.00 0.00 179.97 179.94 1rrg h MET 110 N 0.00 0.32 0.00 0.20 4.05 0.99 -3.28 114.93 117.21 1rrg h MET 110 Ca -0.00 -0.55 -0.04 0.00 -0.28 0.00 0.00 59.70 58.83 1rrg h MET 110 Cb 0.93 0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 31.93 1rrg h MET 110 CO 0.05 1.27 -0.17 -0.07 0.23 0.00 0.00 176.91 178.22 1rrg h LEU 111 N -0.31 0.00 0.00 3.39 3.38 -1.19 -2.65 115.31 117.93 1rrg h LEU 111 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1rrg h LEU 111 Cb 1.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.46 1rrg h LEU 111 CO 0.16 0.17 0.00 0.00 0.09 0.00 0.00 178.44 178.86 1rrg n ALA 112 N -2.45 2.48 -2.71 1.53 0.00 -0.92 -4.64 120.51 113.80 1rrg n ALA 112 Ca -0.02 -0.07 -0.38 0.00 0.00 0.00 0.00 53.44 52.96 1rrg n ALA 112 Cb 0.24 -1.19 -0.06 0.00 0.00 0.00 0.00 19.45 18.44 1rrg n ALA 112 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1rrg s GLU 113 N -2.00 4.28 0.41 0.00 0.41 -1.00 -5.00 118.70 115.80 1rrg s GLU 113 Ca 0.18 0.37 0.17 0.00 -0.41 0.00 0.00 54.97 55.27 1rrg s GLU 113 Cb 0.08 -3.47 1.06 0.00 -1.78 0.00 0.00 34.13 30.02 1rrg s GLU 113 CO 0.14 0.09 1.86 -0.44 -0.49 0.00 0.00 175.26 176.42 1rrg h ASP 114 N 6.93 0.43 1.43 -0.19 3.32 -1.90 -0.84 116.42 125.61 1rrg h ASP 114 Ca -0.39 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1rrg h ASP 114 Cb 1.17 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1rrg h ASP 114 CO 0.75 0.18 -0.10 -0.33 -1.72 0.00 0.00 179.24 178.01 1rrg h GLU 115 N 0.43 0.00 -0.75 3.56 3.07 -1.94 -3.17 114.58 115.78 1rrg h GLU 115 Ca 0.46 0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 58.99 1rrg h GLU 115 Cb 1.11 0.00 -0.20 0.00 -0.84 0.00 0.00 28.75 28.82 1rrg h GLU 115 CO -0.18 0.00 0.35 1.28 -1.40 0.00 0.00 179.01 179.06 1rrg n LEU 116 N -2.33 5.85 0.08 1.33 4.32 -0.33 -4.44 117.00 121.49 1rrg n LEU 116 Ca 0.05 -3.50 -0.10 0.00 -0.02 0.00 0.00 56.01 52.44 1rrg n LEU 116 Cb 0.44 -0.75 -0.08 0.00 -1.62 0.00 0.00 43.42 41.41 1rrg n LEU 116 CO 0.32 1.00 0.14 -0.09 -1.22 0.00 0.00 177.39 177.54 1rrg h ARG 117 N 1.54 0.14 -0.78 3.23 2.43 -1.51 -3.27 114.38 116.16 1rrg h ARG 117 Ca 0.41 -0.20 -0.51 0.00 -0.81 0.00 0.00 59.98 58.86 1rrg h ARG 117 Cb 2.38 0.07 -0.29 0.00 -0.42 0.00 0.00 29.97 31.71 1rrg h ARG 117 CO 0.80 1.03 0.16 -0.25 -1.51 0.00 0.00 179.97 180.21 1rrg n ASP 118 N -3.52 5.27 -4.64 -3.80 9.92 -1.26 -4.97 116.55 113.55 1rrg n ASP 118 Ca -0.04 -3.76 -0.35 0.00 -0.53 0.00 0.00 54.79 50.12 1rrg n ASP 118 Cb 0.91 -0.71 -0.10 0.00 -0.64 0.00 0.00 41.12 40.58 1rrg n ASP 118 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1rrg s ALA 119 N -3.57 3.24 0.14 2.24 0.00 -1.23 -4.92 121.76 117.65 1rrg s ALA 119 Ca 0.56 -0.80 -0.30 0.00 0.00 0.00 0.00 51.96 51.42 1rrg s ALA 119 Cb 0.46 -1.56 -0.07 0.00 0.00 0.00 0.00 23.12 21.95 1rrg s ALA 119 CO 0.02 0.46 1.12 0.08 0.00 0.00 0.00 175.76 177.43 1rrg s VAL 120 N -0.45 3.94 -0.16 0.00 1.01 -0.83 -4.74 120.40 119.17 1rrg s VAL 120 Ca 0.08 1.59 -0.08 0.00 0.00 0.00 0.00 61.98 63.57 1rrg s VAL 120 Cb -0.12 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 1rrg s VAL 120 CO 0.02 0.23 0.12 -0.22 0.00 0.00 0.00 175.10 175.25 1rrg s LEU 121 N 0.02 4.20 -0.09 3.92 0.20 -0.69 -0.18 118.68 126.07 1rrg s LEU 121 Ca 0.52 0.31 -0.01 0.00 0.69 0.00 0.00 54.13 55.63 1rrg s LEU 121 Cb -0.29 -2.05 0.03 0.00 -0.43 0.00 0.00 46.19 43.44 1rrg s LEU 121 CO 0.33 0.28 -0.02 -0.22 -0.29 0.00 0.00 176.35 176.43 1rrg s LEU 122 N -0.27 0.80 -0.24 -0.68 2.96 -0.00 -2.17 118.68 119.07 1rrg s LEU 122 Ca 0.11 -0.17 -0.08 0.00 -0.22 0.00 0.00 54.13 53.76 1rrg s LEU 122 Cb -0.12 -0.58 -0.04 0.00 0.50 0.00 0.00 46.19 45.96 1rrg s LEU 122 CO 0.01 -0.17 0.10 -0.69 -1.32 0.00 0.00 176.35 174.28 1rrg s VAL 123 N 1.88 4.72 -0.33 1.68 1.01 0.12 0.32 120.40 129.80 1rrg s VAL 123 Ca 0.05 -0.04 -0.12 0.00 0.00 0.00 0.00 61.98 61.87 1rrg s VAL 123 Cb -0.12 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 1rrg s VAL 123 CO -0.06 0.35 0.23 -0.36 0.00 0.00 0.00 175.10 175.26 1rrg s PHE 124 N 1.31 3.23 -1.16 5.22 0.08 0.30 -0.89 117.98 126.07 1rrg s PHE 124 Ca 0.06 -0.17 -0.10 0.00 0.12 0.00 0.00 56.93 56.84 1rrg s PHE 124 Cb -0.15 -2.46 0.23 0.00 -0.57 0.00 0.00 43.02 40.08 1rrg s PHE 124 CO 0.05 -0.33 1.37 0.00 -0.10 0.00 0.00 175.22 176.20 1rrg n ALA 125 N 5.10 4.37 -1.35 5.36 0.00 -0.16 -0.38 120.51 133.45 1rrg n ALA 125 Ca -0.13 -4.50 -0.29 0.00 0.00 0.00 0.00 53.44 48.52 1rrg n ALA 125 Cb 0.50 -2.71 0.16 0.00 0.00 0.00 0.00 19.45 17.40 1rrg n ALA 125 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1rrg s ASN 126 N 1.35 3.01 -1.20 0.00 2.47 -0.98 -1.82 114.94 117.77 1rrg s ASN 126 Ca 0.36 1.05 -0.02 0.00 0.42 0.00 0.00 52.86 54.67 1rrg s ASN 126 Cb -0.03 -1.67 0.00 0.00 -1.45 0.00 0.00 41.25 38.10 1rrg s ASN 126 CO -0.02 -2.88 0.29 0.29 -3.72 0.00 0.00 177.10 171.06 1rrg n LYS 127 N -3.99 -2.75 0.30 0.43 5.02 -1.16 -2.31 118.16 113.69 1rrg n LYS 127 Ca 0.06 0.70 0.19 0.00 -2.02 0.00 0.00 58.31 57.24 1rrg n LYS 127 Cb 0.58 -5.05 0.90 0.00 -0.02 0.00 0.00 35.03 31.44 1rrg n LYS 127 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1rrg h GLN 128 N -0.66 0.00 0.00 1.97 5.75 -1.53 -2.16 115.11 118.48 1rrg h GLN 128 Ca -0.38 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.12 1rrg h GLN 128 Cb 1.27 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.82 1rrg h GLN 128 CO 0.42 0.00 0.00 -0.40 -2.65 0.00 0.00 178.83 176.20 1rrg n ASP 129 N -3.03 0.51 -4.72 -0.69 5.75 -1.26 -4.78 116.55 108.33 1rrg n ASP 129 Ca -0.01 0.58 -0.42 0.00 -0.01 0.00 0.00 54.79 54.94 1rrg n ASP 129 Cb 0.20 -0.71 -0.04 0.00 -1.03 0.00 0.00 41.12 39.55 1rrg n ASP 129 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1rrg s LEU 130 N -4.04 4.42 0.26 -2.12 1.43 -0.81 -4.96 118.68 112.85 1rrg s LEU 130 Ca 0.08 1.84 -0.07 0.00 -1.03 0.00 0.00 54.13 54.95 1rrg s LEU 130 Cb 0.12 -3.58 0.45 0.00 0.03 0.00 0.00 46.19 43.20 1rrg s LEU 130 CO 0.47 -0.25 1.44 -2.65 0.23 0.00 0.00 176.35 175.59 1rrg n PRO 131 N 3.37 -0.08 -2.29 1.29 -0.02 -1.26 -1.47 135.00 134.54 1rrg n PRO 131 Ca 0.05 1.44 -0.33 0.00 -2.02 0.00 0.00 63.50 62.64 1rrg n PRO 131 Cb 0.49 -2.16 0.01 0.00 -0.02 0.00 0.00 33.50 31.83 1rrg n PRO 131 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1rrg n ASN 132 N -5.49 5.89 -4.72 2.55 3.02 -1.26 -5.00 115.26 110.24 1rrg n ASN 132 Ca 0.15 -3.76 -0.38 0.00 -0.03 0.00 0.00 54.58 50.56 1rrg n ASN 132 Cb 0.48 -0.73 -0.06 0.00 -0.61 0.00 0.00 39.78 38.87 1rrg n ASN 132 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rrg s ALA 133 N -3.77 3.48 0.79 5.41 0.00 -0.55 -4.67 121.76 122.46 1rrg s ALA 133 Ca 0.49 -0.20 -0.13 0.00 0.00 0.00 0.00 51.96 52.12 1rrg s ALA 133 Cb 0.40 -2.63 0.08 0.00 0.00 0.00 0.00 23.12 20.97 1rrg s ALA 133 CO -0.28 0.02 1.20 -1.64 0.00 0.00 0.00 175.76 175.06 1rrg s MET 134 N 0.57 1.73 0.44 0.00 -1.94 -1.07 -4.92 119.30 114.11 1rrg s MET 134 Ca 0.26 1.74 0.04 0.00 -1.71 0.00 0.00 55.69 56.01 1rrg s MET 134 Cb -0.15 -1.79 0.01 0.00 2.01 0.00 0.00 34.83 34.91 1rrg s MET 134 CO 0.10 -2.14 0.63 0.54 -0.01 0.00 0.00 175.02 174.14 1rrg s ASN 135 N -2.17 5.68 0.63 3.03 4.22 -1.26 -4.85 114.94 120.23 1rrg s ASN 135 Ca 0.73 -0.07 0.31 0.00 -2.14 0.00 0.00 52.86 51.69 1rrg s ASN 135 Cb -0.28 -1.09 1.67 0.00 1.28 0.00 0.00 41.25 42.83 1rrg s ASN 135 CO 0.50 -0.77 1.99 0.00 -2.04 0.00 0.00 177.10 176.78 1rrg h ALA 136 N 0.49 1.58 0.12 3.54 0.00 -1.95 0.82 119.26 123.86 1rrg h ALA 136 Ca -0.44 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.19 1rrg h ALA 136 Cb 1.27 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1rrg h ALA 136 CO 0.52 -0.38 -1.34 0.00 0.00 0.00 0.00 179.25 178.05 1rrg h ALA 137 N 1.50 0.16 0.02 0.00 0.00 -1.99 -2.04 119.26 116.91 1rrg h ALA 137 Ca 0.06 -0.96 -0.00 0.00 0.00 0.00 0.00 54.91 54.01 1rrg h ALA 137 Cb 0.69 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1rrg h ALA 137 CO -0.00 1.04 -0.01 0.93 0.00 0.00 0.00 179.25 181.21 1rrg h GLU 138 N 0.07 -0.03 -0.71 0.00 5.08 -1.24 -2.80 114.58 114.96 1rrg h GLU 138 Ca -0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1rrg h GLU 138 Cb 1.98 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 31.21 1rrg h GLU 138 CO 0.19 0.29 0.46 0.82 -1.00 0.00 0.00 179.01 179.77 1rrg h ILE 139 N -0.35 1.19 -1.00 3.13 1.08 -1.44 0.73 117.51 120.86 1rrg h ILE 139 Ca -0.00 -0.37 0.05 0.00 -0.39 0.00 0.00 64.86 64.14 1rrg h ILE 139 Cb 0.33 0.16 -0.06 0.00 -3.07 0.00 0.00 36.82 34.18 1rrg h ILE 139 CO 0.00 0.19 0.65 0.74 -0.69 0.00 0.00 178.15 179.04 1rrg h THR 140 N 0.97 1.14 0.29 -0.27 2.02 -1.36 0.54 112.91 116.24 1rrg h THR 140 Ca 0.26 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 1rrg h THR 140 Cb -0.09 -0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.13 1rrg h THR 140 CO -0.05 0.22 -0.14 0.44 0.37 0.00 0.00 175.52 176.36 1rrg h ASP 141 N 1.23 -0.33 -0.99 4.18 5.19 -1.12 0.74 116.42 125.31 1rrg h ASP 141 Ca 0.41 -0.20 0.14 0.00 -0.62 0.00 0.00 57.03 56.77 1rrg h ASP 141 Cb 0.07 0.09 -0.09 0.00 0.18 0.00 0.00 39.33 39.57 1rrg h ASP 141 CO -0.14 0.14 0.62 0.11 -3.12 0.00 0.00 179.24 176.85 1rrg h LYS 142 N -0.93 0.86 0.00 3.56 1.79 -0.81 0.56 116.57 121.59 1rrg h LYS 142 Ca -0.04 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1rrg h LYS 142 Cb 0.50 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1rrg h LYS 142 CO 0.07 0.57 -0.03 1.28 -1.08 0.00 0.00 179.45 180.26 1rrg n LEU 143 N -4.65 0.13 -3.68 2.94 4.77 0.17 -4.91 117.00 111.77 1rrg n LEU 143 Ca 0.20 0.49 -0.23 0.00 -0.03 0.00 0.00 56.01 56.43 1rrg n LEU 143 Cb 0.44 -0.46 0.05 0.00 -2.33 0.00 0.00 43.42 41.12 1rrg n LEU 143 CO 0.26 -0.02 0.09 0.61 -1.33 0.00 0.00 177.39 177.00 1rrg n GLY 144 N 1.47 -0.42 0.24 -0.72 0.00 0.19 -4.86 105.19 101.11 1rrg n GLY 144 Ca 0.07 0.17 0.13 0.00 0.00 0.00 0.00 46.02 46.39 1rrg n GLY 144 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1rrg h LEU 145 N -2.13 0.00 0.00 0.99 3.38 -1.18 -3.01 115.31 113.35 1rrg h LEU 145 Ca -0.59 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.38 1rrg h LEU 145 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1rrg h LEU 145 CO 0.58 0.09 0.00 1.41 0.09 0.00 0.00 178.44 180.61 1rrg n HIS 146 N -3.20 0.00 0.75 1.13 8.25 -1.26 -1.39 115.22 119.50 1rrg n HIS 146 Ca 0.01 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.56 1rrg n HIS 146 Cb 0.40 -0.19 -0.12 0.00 1.12 0.00 0.00 29.99 31.21 1rrg n HIS 146 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1rrg n SER 147 N -1.19 0.83 -3.53 0.41 3.41 -1.14 -4.62 113.62 107.80 1rrg n SER 147 Ca 0.11 -0.80 -0.38 0.00 -0.26 0.00 0.00 58.87 57.54 1rrg n SER 147 Cb 0.12 1.15 -0.03 0.00 -0.26 0.00 0.00 64.21 65.19 1rrg n SER 147 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1rrg n LEU 148 N -1.57 5.72 -4.41 1.04 4.77 -0.49 -4.74 117.00 117.32 1rrg n LEU 148 Ca 0.02 -3.47 -0.45 0.00 -0.03 0.00 0.00 56.01 52.08 1rrg n LEU 148 Cb 0.33 -1.34 -0.02 0.00 -2.33 0.00 0.00 43.42 40.06 1rrg n LEU 148 CO 0.39 0.59 0.78 0.00 -1.33 0.00 0.00 177.39 177.82 1rrg s ARG 149 N 3.78 3.59 0.00 3.23 1.04 -1.26 -3.98 118.95 125.34 1rrg s ARG 149 Ca 0.52 -1.99 0.00 0.00 -1.04 0.00 0.00 55.73 53.23 1rrg s ARG 149 Cb 0.14 -4.73 0.00 0.00 -2.04 0.00 0.00 34.95 28.32 1rrg s ARG 149 CO 0.00 -1.60 0.00 1.58 -0.04 0.00 0.00 175.30 175.24 1rrg n HIS 150 N 5.66 0.00 -4.43 5.89 -0.00 -1.26 -5.16 115.22 115.92 1rrg n HIS 150 Ca 0.20 0.00 -0.25 0.00 0.46 0.00 0.00 57.72 58.13 1rrg n HIS 150 Cb 0.48 0.00 -0.11 0.00 -0.12 0.00 0.00 29.99 30.24 1rrg n HIS 150 CO 0.00 0.00 0.00 -0.98 0.46 0.00 0.00 176.34 175.82 1rrg s ARG 151 N 0.00 1.56 -0.72 1.57 1.70 -1.26 -5.08 118.95 116.72 1rrg s ARG 151 Ca 0.00 -1.63 -0.27 0.00 -0.47 0.00 0.00 55.73 53.36 1rrg s ARG 151 Cb 0.00 -1.72 0.01 0.00 -0.57 0.00 0.00 34.95 32.67 1rrg s ARG 151 CO 0.00 0.34 1.48 1.21 -1.08 0.00 0.00 175.30 177.25 1rrg s ASN 152 N -3.10 5.89 0.45 -2.89 2.47 -1.26 -4.98 114.94 111.52 1rrg s ASN 152 Ca 0.25 -0.29 0.05 0.00 0.42 0.00 0.00 52.86 53.29 1rrg s ASN 152 Cb -0.06 -2.55 -0.05 0.00 -1.45 0.00 0.00 41.25 37.14 1rrg s ASN 152 CO 0.12 -2.00 0.04 -1.66 -3.72 0.00 0.00 177.10 169.87 1rrg s TRP 153 N 6.79 2.29 -0.24 0.43 1.48 -1.26 -1.70 118.94 126.72 1rrg s TRP 153 Ca 0.46 -0.76 -0.27 0.00 -1.06 0.00 0.00 56.10 54.47 1rrg s TRP 153 Cb -0.09 -1.75 0.15 0.00 -1.16 0.00 0.00 33.47 30.62 1rrg s TRP 153 CO 0.15 0.32 1.14 -0.47 -4.06 0.00 0.00 176.95 174.03 1rrg s TYR 154 N -2.75 -0.30 -0.11 1.66 5.04 -0.92 -4.95 117.35 115.02 1rrg s TYR 154 Ca 0.26 0.62 0.03 0.00 -2.44 0.00 0.00 57.07 55.54 1rrg s TYR 154 Cb 0.06 0.44 0.01 0.00 0.35 0.00 0.00 41.96 42.82 1rrg s TYR 154 CO 0.14 -0.20 -0.19 -1.50 -1.34 0.00 0.00 175.55 172.45 1rrg s ILE 155 N -0.47 1.77 -0.12 3.14 2.07 -1.26 0.11 121.20 126.43 1rrg s ILE 155 Ca 0.03 -0.82 0.03 0.00 -1.41 0.00 0.00 60.65 58.48 1rrg s ILE 155 Cb -0.03 -1.57 0.01 0.00 0.13 0.00 0.00 42.46 41.00 1rrg s ILE 155 CO -0.05 0.49 -0.23 -1.58 -1.91 0.00 0.00 174.94 171.66 1rrg s GLN 156 N 0.75 3.03 0.22 3.50 2.00 -0.06 -4.96 119.66 124.13 1rrg s GLN 156 Ca -0.11 -0.86 -0.27 0.00 -2.00 0.00 0.00 55.36 52.12 1rrg s GLN 156 Cb -0.16 -2.38 -0.09 0.00 0.80 0.00 0.00 33.01 31.19 1rrg s GLN 156 CO 0.01 0.06 0.86 0.00 -0.50 0.00 0.00 175.29 175.73 1rrg s ALA 157 N 0.62 3.37 0.27 1.58 0.00 -1.26 -0.98 121.76 125.36 1rrg s ALA 157 Ca -0.12 0.47 0.04 0.00 0.00 0.00 0.00 51.96 52.35 1rrg s ALA 157 Cb -0.17 -3.08 -0.01 0.00 0.00 0.00 0.00 23.12 19.86 1rrg s ALA 157 CO 0.02 0.25 0.28 0.25 0.00 0.00 0.00 175.76 176.57 1rrg n THR 158 N 1.35 0.00 -3.30 0.00 -2.24 -0.75 -4.42 114.28 104.92 1rrg n THR 158 Ca -0.03 -1.81 -0.09 0.00 -2.27 0.00 0.00 64.05 59.86 1rrg n THR 158 Cb 0.48 0.96 -0.05 0.00 -2.10 0.00 0.00 70.33 69.62 1rrg n THR 158 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rrg h ALA 160 N 7.83 1.92 -0.09 0.00 0.00 -1.90 0.69 119.26 127.70 1rrg h ALA 160 Ca -0.04 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 1rrg h ALA 160 Cb 1.12 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.91 1rrg h ALA 160 CO 0.23 0.03 -0.64 1.79 0.00 0.00 0.00 179.25 180.66 1rrg h THR 161 N 0.00 1.34 0.00 0.00 1.35 -1.96 -3.12 112.91 110.53 1rrg h THR 161 Ca -0.00 -1.94 -0.09 0.00 -0.55 0.00 0.00 66.41 63.83 1rrg h THR 161 Cb 0.04 2.22 -0.01 0.00 -1.73 0.00 0.00 68.15 68.67 1rrg h THR 161 CO 0.00 0.59 -0.63 0.77 -0.25 0.00 0.00 175.52 176.00 1rrg h SER 162 N 0.22 0.00 0.00 5.36 4.64 -1.96 -3.48 113.55 118.32 1rrg h SER 162 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1rrg h SER 162 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1rrg h SER 162 CO 0.13 0.39 0.00 0.61 -0.87 0.00 0.00 176.83 177.09 1rrg n GLY 163 N 1.23 0.94 3.77 -0.77 0.00 0.24 -5.07 105.19 105.54 1rrg n GLY 163 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1rrg n GLY 163 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1rrg s ASP 164 N -2.96 7.34 0.00 1.61 -4.77 -1.17 -3.29 116.67 113.43 1rrg s ASP 164 Ca 0.00 1.89 0.00 0.00 -3.30 0.00 0.00 52.55 51.14 1rrg s ASP 164 Cb 0.00 -2.59 0.00 0.00 -1.09 0.00 0.00 42.92 39.24 1rrg s ASP 164 CO 0.00 -0.07 0.00 0.61 0.70 0.00 0.00 175.17 176.41 1rrg n GLY 165 N 0.72 2.05 0.23 2.12 0.00 -1.26 -2.73 105.19 106.33 1rrg n GLY 165 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 1rrg n GLY 165 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1rrg h LEU 166 N 0.00 0.95 -0.00 0.99 3.38 -1.85 -1.86 115.31 116.92 1rrg h LEU 166 Ca 0.00 -0.61 -0.00 0.00 0.09 0.00 0.00 57.88 57.36 1rrg h LEU 166 Cb 0.00 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 1rrg h LEU 166 CO 0.00 1.39 -0.00 0.22 0.09 0.00 0.00 178.44 180.14 1rrg h TYR 167 N 0.56 0.01 -0.70 1.13 3.20 -1.91 -1.52 116.97 117.74 1rrg h TYR 167 Ca -0.04 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.86 1rrg h TYR 167 Cb 1.34 -0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.57 1rrg h TYR 167 CO 0.09 0.48 0.44 0.93 -1.64 0.00 0.00 178.16 178.46 1rrg h GLU 168 N -0.47 0.85 -0.18 1.82 3.07 -1.97 0.73 114.58 118.43 1rrg h GLU 168 Ca 0.00 -0.05 -0.17 0.00 -0.50 0.00 0.00 59.36 58.64 1rrg h GLU 168 Cb 0.48 -0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 28.20 1rrg h GLU 168 CO 0.00 0.56 -0.58 0.78 -1.40 0.00 0.00 179.01 178.37 1rrg h GLY 169 N 0.87 0.63 2.00 -3.84 0.00 -1.39 -2.80 103.07 98.54 1rrg h GLY 169 Ca 0.28 -0.76 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1rrg h GLY 169 CO -0.10 0.68 0.00 1.41 0.00 0.00 0.00 176.54 178.53 1rrg h LEU 170 N 0.44 0.00 0.24 3.11 3.38 -0.67 -2.60 115.31 119.20 1rrg h LEU 170 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1rrg h LEU 170 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1rrg h LEU 170 CO 0.11 0.00 -0.11 -0.78 0.09 0.00 0.00 178.44 177.75 1rrg h ASP 171 N 0.00 -0.27 -0.21 -0.43 3.58 0.59 -1.03 116.42 118.65 1rrg h ASP 171 Ca 0.00 -0.25 0.04 0.00 0.42 0.00 0.00 57.03 57.24 1rrg h ASP 171 Cb 0.88 0.07 -0.07 0.00 1.72 0.00 0.00 39.33 41.93 1rrg h ASP 171 CO 0.00 0.16 -0.47 -0.25 -2.88 0.00 0.00 179.24 175.80 1rrg h TRP 172 N -0.77 -1.39 -0.75 0.28 7.01 -1.48 0.11 115.95 118.96 1rrg h TRP 172 Ca -0.03 0.06 0.11 0.00 2.11 0.00 0.00 58.89 61.14 1rrg h TRP 172 Cb 0.50 0.64 -0.08 0.00 -2.10 0.00 0.00 29.16 28.12 1rrg h TRP 172 CO 0.05 -0.50 0.37 1.25 -2.79 0.00 0.00 178.44 176.82 1rrg h LEU 173 N -0.49 0.46 -0.66 0.65 7.12 -1.52 0.63 115.31 121.50 1rrg h LEU 173 Ca 0.07 0.07 -0.05 0.00 0.13 0.00 0.00 57.88 58.11 1rrg h LEU 173 Cb 0.64 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.74 1rrg h LEU 173 CO -0.46 0.24 0.21 -1.28 -0.13 0.00 0.00 178.44 177.02 1rrg h SER 174 N 0.59 0.96 -0.11 1.25 0.87 0.29 -2.01 113.55 115.39 1rrg h SER 174 Ca 0.39 -0.20 -0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1rrg h SER 174 Cb 0.47 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 1rrg h SER 174 CO -0.31 0.91 0.06 0.78 -0.53 0.00 0.00 176.83 177.74 1rrg h ASN 175 N 0.96 0.14 -0.34 6.23 -0.26 0.50 -1.96 115.58 120.84 1rrg h ASN 175 Ca 0.21 -0.08 0.07 0.00 -0.56 0.00 0.00 56.30 55.94 1rrg h ASN 175 Cb 0.29 -0.03 -0.06 0.00 -1.06 0.00 0.00 38.32 37.45 1rrg h ASN 175 CO -0.01 0.18 -0.08 1.56 -1.06 0.00 0.00 177.43 178.03 1rrg h GLN 176 N 0.08 0.01 -0.62 0.81 1.08 -0.52 -1.13 115.11 114.82 1rrg h GLN 176 Ca 0.04 -0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.19 1rrg h GLN 176 Cb 0.07 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.47 1rrg h GLN 176 CO -0.01 0.01 0.20 -0.07 -0.95 0.00 0.00 178.83 178.00 1rrg h LEU 177 N 0.01 0.87 -1.93 1.46 -0.00 -1.29 0.23 115.31 114.65 1rrg h LEU 177 Ca 0.16 -0.14 0.18 0.00 -0.00 0.00 0.00 57.88 58.08 1rrg h LEU 177 Cb 0.25 -0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 40.65 1rrg h LEU 177 CO -0.34 0.82 0.56 -0.09 -0.00 0.00 0.00 178.44 179.39 1rrg h ARG 178 N 0.91 0.00 0.00 1.13 2.43 -0.40 0.02 114.38 118.47 1rrg h ARG 178 Ca 0.20 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.35 1rrg h ARG 178 Cb 0.26 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.75 1rrg h ARG 178 CO -0.01 0.00 -0.43 0.27 -1.51 0.00 0.00 179.97 178.30 1rrg n ASN 179 N -3.92 1.02 -0.02 -3.80 6.94 -0.97 -4.75 115.26 109.76 1rrg n ASN 179 Ca 0.13 -2.52 -0.10 0.00 -0.02 0.00 0.00 54.58 52.07 1rrg n ASN 179 Cb 0.80 -0.32 -0.09 0.00 -2.36 0.00 0.00 39.78 37.82 1rrg n ASN 179 CO 0.00 0.00 0.00 -0.61 -1.03 0.00 0.00 177.26 175.62 1rrg h GLN 180 N 0.24 -0.07 0.00 -3.83 4.15 0.15 -3.50 115.11 112.25 1rrg h GLN 180 Ca -0.03 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1rrg h GLN 180 Cb 1.31 0.02 0.00 0.00 0.21 0.00 0.00 27.48 29.02 1rrg h GLN 180 CO 0.01 0.53 0.00 1.17 -1.93 0.00 0.00 178.83 178.61