#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rrf s ASN 3 N 0.00 -1.24 0.42 1.61 3.84 -1.26 -5.07 114.94 113.24 1rrf s ASN 3 Ca 0.00 -1.37 0.31 0.00 0.21 0.00 0.00 52.86 52.01 1rrf s ASN 3 Cb 0.00 1.62 1.42 0.00 -0.55 0.00 0.00 41.25 43.73 1rrf s ASN 3 CO 0.00 -0.06 1.49 2.30 -2.79 0.00 0.00 177.10 178.04 1rrf n ILE 4 N 3.06 -0.25 0.10 -5.21 -5.35 -1.26 -0.96 119.36 109.48 1rrf n ILE 4 Ca 0.16 1.73 -0.05 0.00 -0.27 0.00 0.00 62.75 64.32 1rrf n ILE 4 Cb 0.58 -2.83 -0.02 0.00 -1.74 0.00 0.00 39.64 35.62 1rrf n ILE 4 CO 0.00 0.00 0.00 -0.26 -1.76 0.00 0.00 176.55 174.53 1rrf h PHE 5 N 0.00 -0.31 -1.39 4.28 0.04 -1.98 -3.16 116.94 114.42 1rrf h PHE 5 Ca 0.84 -0.01 0.44 0.00 2.80 0.00 0.00 57.97 62.04 1rrf h PHE 5 Cb 2.69 0.10 -0.10 0.00 2.20 0.00 0.00 35.95 40.84 1rrf h PHE 5 CO -0.01 -0.19 0.94 0.00 -0.60 0.00 0.00 178.31 178.45 1rrf n ALA 6 N -2.72 1.35 0.08 2.45 0.00 -0.14 0.13 120.51 121.67 1rrf n ALA 6 Ca -0.04 0.67 -0.10 0.00 0.00 0.00 0.00 53.44 53.97 1rrf n ALA 6 Cb 0.13 -0.94 -0.08 0.00 0.00 0.00 0.00 19.45 18.57 1rrf n ALA 6 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1rrf h ASN 7 N 0.00 0.19 0.00 0.00 2.35 -1.41 -3.29 115.58 113.42 1rrf h ASN 7 Ca 0.78 -0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 56.34 1rrf h ASN 7 Cb 2.75 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 41.06 1rrf h ASN 7 CO -0.25 1.08 -0.00 -0.07 -1.65 0.00 0.00 177.43 176.55 1rrf h LEU 8 N 0.05 0.00 -1.68 1.61 3.38 0.10 -2.73 115.31 116.05 1rrf h LEU 8 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1rrf h LEU 8 Cb 1.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.47 1rrf h LEU 8 CO 0.15 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.17 1rrf n PHE 9 N -3.88 0.64 -3.49 1.13 3.72 -1.24 -4.89 117.46 109.45 1rrf n PHE 9 Ca -0.03 -0.24 -0.35 0.00 -0.05 0.00 0.00 57.45 56.78 1rrf n PHE 9 Cb 0.08 -0.19 -0.06 0.00 -0.94 0.00 0.00 39.48 38.38 1rrf n PHE 9 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1rrf s LYS 10 N -1.63 3.86 0.00 -1.08 2.20 -1.03 -3.20 119.74 118.86 1rrf s LYS 10 Ca 0.19 0.32 0.00 0.00 -0.36 0.00 0.00 55.97 56.12 1rrf s LYS 10 Cb 0.13 -3.01 0.00 0.00 -1.51 0.00 0.00 37.83 33.45 1rrf s LYS 10 CO 0.07 0.55 0.00 0.41 -0.36 0.00 0.00 175.35 176.02 1rrf n GLY 11 N 1.00 2.29 0.14 5.54 0.00 -1.26 -4.76 105.19 108.14 1rrf n GLY 11 Ca -0.08 -0.57 0.13 0.00 0.00 0.00 0.00 46.02 45.50 1rrf n GLY 11 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1rrf h LEU 12 N 0.00 0.00 -8.58 0.99 3.38 -1.92 -3.44 115.31 105.75 1rrf h LEU 12 Ca 0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 1rrf h LEU 12 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1rrf h LEU 12 CO 0.00 0.00 1.38 -0.36 0.09 0.00 0.00 178.44 179.55 1rrf s PHE 13 N -3.24 1.61 0.00 1.13 0.08 -1.24 -4.91 117.98 111.42 1rrf s PHE 13 Ca 0.07 0.86 0.00 0.00 0.12 0.00 0.00 56.93 57.98 1rrf s PHE 13 Cb 0.10 -4.03 0.00 0.00 -0.57 0.00 0.00 43.02 38.52 1rrf s PHE 13 CO 0.53 -2.46 0.00 0.41 -0.10 0.00 0.00 175.22 173.61 1rrf n GLY 14 N 5.68 -1.92 4.89 4.36 0.00 -1.26 -5.08 105.19 111.87 1rrf n GLY 14 Ca 0.23 0.97 0.00 0.00 0.00 0.00 0.00 46.02 47.22 1rrf n GLY 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rrf n LYS 15 N 0.00 0.00 -3.43 1.61 5.02 -1.26 -4.92 118.16 115.18 1rrf n LYS 15 Ca 0.00 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.97 1rrf n LYS 15 Cb 0.00 -0.38 -0.05 0.00 -0.02 0.00 0.00 35.03 34.58 1rrf n LYS 15 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1rrf s LYS 16 N 0.00 3.81 0.07 1.97 2.20 -1.26 -5.04 119.74 121.48 1rrf s LYS 16 Ca 0.00 0.27 -0.30 0.00 -0.36 0.00 0.00 55.97 55.58 1rrf s LYS 16 Cb 0.00 -2.68 -0.05 0.00 -1.51 0.00 0.00 37.83 33.59 1rrf s LYS 16 CO 0.00 0.34 1.01 -2.00 -0.36 0.00 0.00 175.35 174.34 1rrf s GLU 17 N -2.73 4.61 -0.13 4.03 2.12 -1.26 -4.95 118.70 120.39 1rrf s GLU 17 Ca 0.46 1.50 -0.06 0.00 0.36 0.00 0.00 54.97 57.23 1rrf s GLU 17 Cb -0.12 -3.40 -0.04 0.00 0.26 0.00 0.00 34.13 30.84 1rrf s GLU 17 CO 0.21 0.05 0.08 -1.64 -0.54 0.00 0.00 175.26 173.42 1rrf s MET 18 N 0.46 3.50 -0.07 4.30 -1.94 0.77 -4.92 119.30 121.41 1rrf s MET 18 Ca 0.50 -0.26 0.00 0.00 -1.71 0.00 0.00 55.69 54.22 1rrf s MET 18 Cb -0.24 -3.11 0.02 0.00 2.01 0.00 0.00 34.83 33.52 1rrf s MET 18 CO 0.30 0.60 -0.05 0.50 -0.01 0.00 0.00 175.02 176.36 1rrf s ARG 19 N -0.55 1.00 -0.24 2.03 3.52 -1.26 0.39 118.95 123.84 1rrf s ARG 19 Ca 0.11 -0.11 -0.02 0.00 -0.13 0.00 0.00 55.73 55.58 1rrf s ARG 19 Cb -0.12 -1.08 0.02 0.00 -1.56 0.00 0.00 34.95 32.22 1rrf s ARG 19 CO 0.02 -0.16 -0.07 0.42 -0.81 0.00 0.00 175.30 174.70 1rrf s ILE 20 N 1.30 2.86 0.06 4.11 1.01 0.07 -1.81 121.20 128.81 1rrf s ILE 20 Ca -0.04 -0.98 -0.28 0.00 0.00 0.00 0.00 60.65 59.35 1rrf s ILE 20 Cb -0.14 -2.43 -0.05 0.00 0.01 0.00 0.00 42.46 39.85 1rrf s ILE 20 CO -0.02 0.24 0.89 -0.76 0.00 0.00 0.00 174.94 175.28 1rrf s LEU 21 N 1.33 4.45 -0.17 2.97 1.43 0.17 -2.24 118.68 126.63 1rrf s LEU 21 Ca 0.01 1.63 -0.02 0.00 -1.03 0.00 0.00 54.13 54.73 1rrf s LEU 21 Cb -0.16 -3.45 0.05 0.00 0.03 0.00 0.00 46.19 42.66 1rrf s LEU 21 CO -0.05 -0.08 -0.00 -0.32 0.23 0.00 0.00 176.35 176.13 1rrf s MET 22 N 0.20 0.97 0.17 1.70 1.75 0.17 -0.02 119.30 124.23 1rrf s MET 22 Ca 0.45 -0.41 -0.00 0.00 -1.25 0.00 0.00 55.69 54.47 1rrf s MET 22 Cb -0.22 -1.93 -0.04 0.00 2.84 0.00 0.00 34.83 35.48 1rrf s MET 22 CO 0.27 -0.52 0.08 0.14 -0.65 0.00 0.00 175.02 174.34 1rrf s VAL 23 N 1.77 0.19 -2.86 10.11 -7.23 -0.99 -2.22 120.40 119.16 1rrf s VAL 23 Ca 0.00 -1.95 0.00 0.00 -1.81 0.00 0.00 61.98 58.22 1rrf s VAL 23 Cb -0.16 -2.25 0.00 0.00 0.56 0.00 0.00 36.38 34.53 1rrf s VAL 23 CO -0.07 -0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.05 1rrf n GLY 24 N -0.20 -2.10 3.77 2.32 0.00 -1.26 -2.33 105.19 105.39 1rrf n GLY 24 Ca -0.03 -1.18 -0.30 0.00 0.00 0.00 0.00 46.02 44.51 1rrf n GLY 24 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rrf n LEU 25 N 0.00 0.00 -4.74 0.99 4.32 -1.26 -1.47 117.00 114.84 1rrf n LEU 25 Ca 0.00 -1.38 -0.41 0.00 -0.02 0.00 0.00 56.01 54.20 1rrf n LEU 25 Cb 0.00 -1.02 -0.03 0.00 -1.62 0.00 0.00 43.42 40.75 1rrf n LEU 25 CO 0.00 -1.67 0.88 1.51 -1.22 0.00 0.00 177.39 176.90 1rrf s ASP 26 N -5.46 7.09 -0.20 -1.43 -4.77 -1.26 -3.50 116.67 107.14 1rrf s ASP 26 Ca 0.74 2.23 0.00 0.00 -3.30 0.00 0.00 52.55 52.22 1rrf s ASP 26 Cb -0.03 -2.61 0.00 0.00 -1.09 0.00 0.00 42.92 39.19 1rrf s ASP 26 CO 0.54 -0.37 0.00 0.00 0.70 0.00 0.00 175.17 176.03 1rrf n ALA 27 N 2.52 -0.04 0.05 2.11 0.00 -1.26 -4.92 120.51 118.97 1rrf n ALA 27 Ca 0.04 0.03 -0.08 0.00 0.00 0.00 0.00 53.44 53.43 1rrf n ALA 27 Cb 0.45 -0.65 -0.13 0.00 0.00 0.00 0.00 19.45 19.12 1rrf n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rrf h ALA 28 N 0.03 0.41 0.00 0.00 0.00 -1.87 -3.43 119.26 114.39 1rrf h ALA 28 Ca -0.04 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 53.85 1rrf h ALA 28 Cb 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1rrf h ALA 28 CO 0.06 1.30 0.00 0.41 0.00 0.00 0.00 179.25 181.01 1rrf n GLY 29 N 1.40 0.89 0.12 0.00 0.00 -1.26 -4.51 105.19 101.84 1rrf n GLY 29 Ca -0.04 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.01 1rrf n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rrf h LYS 30 N 0.00 0.00 0.02 1.61 1.57 -1.93 -3.09 116.57 114.76 1rrf h LYS 30 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1rrf h LYS 30 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1rrf h LYS 30 CO 0.00 0.33 -0.19 1.15 -0.57 0.00 0.00 179.45 180.17 1rrf h THR 31 N 0.00 1.67 -0.10 -0.16 2.02 -1.99 -2.31 112.91 112.05 1rrf h THR 31 Ca -0.06 -2.22 0.01 0.00 0.77 0.00 0.00 66.41 64.90 1rrf h THR 31 Cb 1.39 3.15 -0.00 0.00 -1.74 0.00 0.00 68.15 70.95 1rrf h THR 31 CO 0.05 0.59 0.07 0.74 0.37 0.00 0.00 175.52 177.33 1rrf h THR 32 N -0.76 1.01 -0.05 3.16 2.02 -1.99 -1.35 112.91 114.96 1rrf h THR 32 Ca -0.03 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 1rrf h THR 32 Cb 1.08 0.89 -0.00 0.00 -1.74 0.00 0.00 68.15 68.38 1rrf h THR 32 CO 0.04 0.02 -0.02 0.40 0.37 0.00 0.00 175.52 176.33 1rrf h ILE 33 N 0.11 1.31 -0.54 3.11 2.04 -1.56 -1.13 117.51 120.85 1rrf h ILE 33 Ca 0.04 -0.96 0.05 0.00 1.00 0.00 0.00 64.86 64.99 1rrf h ILE 33 Cb 0.02 1.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.91 1rrf h ILE 33 CO -0.01 0.26 0.28 -0.07 0.00 0.00 0.00 178.15 178.61 1rrf h LEU 34 N -0.27 0.40 -0.40 1.44 3.38 -0.73 -1.67 115.31 117.46 1rrf h LEU 34 Ca 0.01 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1rrf h LEU 34 Cb 0.43 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1rrf h LEU 34 CO 0.01 0.27 -0.01 0.22 0.09 0.00 0.00 178.44 179.01 1rrf h TYR 35 N 0.53 0.78 -0.04 1.13 3.20 -1.20 -3.03 116.97 118.35 1rrf h TYR 35 Ca 0.24 -0.14 -0.07 0.00 3.14 0.00 0.00 58.73 61.90 1rrf h TYR 35 Cb 0.15 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 1rrf h TYR 35 CO -0.10 0.80 -0.29 0.87 -1.64 0.00 0.00 178.16 177.80 1rrf h LYS 36 N 0.54 0.07 -0.10 1.82 1.79 -1.08 -2.04 116.57 117.58 1rrf h LYS 36 Ca 0.11 -0.02 0.03 0.00 -2.18 0.00 0.00 60.65 58.59 1rrf h LYS 36 Cb 0.50 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1rrf h LYS 36 CO 0.02 0.36 0.14 1.25 -1.08 0.00 0.00 179.45 180.13 1rrf h LEU 37 N 0.07 0.00 -2.48 2.94 5.85 -1.17 -3.46 115.31 117.05 1rrf h LEU 37 Ca 0.01 0.00 -0.59 0.00 0.84 0.00 0.00 57.88 58.14 1rrf h LEU 37 Cb 0.54 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 41.44 1rrf h LEU 37 CO 0.04 0.00 -0.97 0.29 -0.34 0.00 0.00 178.44 177.46 1rrf n LYS 38 N -3.62 -1.18 -0.46 1.25 5.02 -0.77 -4.74 118.16 113.66 1rrf n LYS 38 Ca -0.00 0.15 0.08 0.00 -2.02 0.00 0.00 58.31 56.51 1rrf n LYS 38 Cb 0.23 -3.53 0.26 0.00 -0.02 0.00 0.00 35.03 31.98 1rrf n LYS 38 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1rrf n LEU 39 N -4.65 3.99 0.00 -0.35 4.32 -1.26 -4.96 117.00 114.09 1rrf n LEU 39 Ca -0.27 -2.78 0.00 0.00 -0.02 0.00 0.00 56.01 52.94 1rrf n LEU 39 Cb 0.67 -0.51 0.00 0.00 -1.62 0.00 0.00 43.42 41.96 1rrf n LEU 39 CO 0.81 0.69 0.00 0.61 -1.22 0.00 0.00 177.39 178.28 1rrf n GLY 40 N -0.07 2.95 3.75 -0.72 0.00 -1.26 -3.88 105.19 105.96 1rrf n GLY 40 Ca 0.21 -1.90 -0.37 0.00 0.00 0.00 0.00 46.02 43.96 1rrf n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rrf s GLU 41 N -1.99 4.18 -0.17 1.61 0.41 -1.26 -4.91 118.70 116.57 1rrf s GLU 41 Ca 0.00 0.25 -0.29 0.00 -0.41 0.00 0.00 54.97 54.52 1rrf s GLU 41 Cb 0.00 -3.38 -0.07 0.00 -1.78 0.00 0.00 34.13 28.90 1rrf s GLU 41 CO 0.00 0.32 2.16 -0.89 -0.49 0.00 0.00 175.26 176.36 1rrf n ILE 42 N 3.21 0.44 -3.72 -1.63 5.41 -1.26 -4.73 119.36 117.08 1rrf n ILE 42 Ca -0.11 -0.37 -0.37 0.00 1.00 0.00 0.00 62.75 62.90 1rrf n ILE 42 Cb 0.52 -2.42 -0.12 0.00 -0.71 0.00 0.00 39.64 36.90 1rrf n ILE 42 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 1rrf s VAL 43 N 7.26 4.33 0.14 1.39 -7.23 0.87 -4.88 120.40 122.28 1rrf s VAL 43 Ca 0.99 -0.41 -0.22 0.00 -1.81 0.00 0.00 61.98 60.53 1rrf s VAL 43 Cb -0.41 -3.15 -0.08 0.00 0.56 0.00 0.00 36.38 33.31 1rrf s VAL 43 CO 0.38 0.17 0.69 -0.89 -0.31 0.00 0.00 175.10 175.14 1rrf s THR 44 N 1.58 4.55 0.05 5.32 2.01 -1.26 -1.83 115.64 126.06 1rrf s THR 44 Ca 0.05 1.43 -0.00 0.00 0.31 0.00 0.00 61.69 63.47 1rrf s THR 44 Cb -0.16 -3.99 -0.03 0.00 0.01 0.00 0.00 72.50 68.32 1rrf s THR 44 CO 0.04 0.46 -0.04 0.42 -0.69 0.00 0.00 174.62 174.82 1rrf s THR 45 N -1.22 0.27 -0.60 -0.82 -4.23 -0.11 -4.99 115.64 103.94 1rrf s THR 45 Ca 0.35 -1.50 0.05 0.00 -1.18 0.00 0.00 61.69 59.41 1rrf s THR 45 Cb -0.20 -1.09 0.18 0.00 1.34 0.00 0.00 72.50 72.72 1rrf s THR 45 CO 0.23 -0.79 0.46 -0.38 -0.54 0.00 0.00 174.62 173.60 1rrf n ILE 46 N 0.64 0.66 0.04 2.99 5.41 -1.26 -1.52 119.36 126.32 1rrf n ILE 46 Ca -0.17 -4.38 0.16 0.00 1.00 0.00 0.00 62.75 59.35 1rrf n ILE 46 Cb 0.59 -2.00 0.63 0.00 -0.71 0.00 0.00 39.64 38.15 1rrf n ILE 46 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 1rrf h PRO 47 N 5.35 0.09 -2.42 0.38 0.11 -1.93 -3.43 132.00 130.16 1rrf h PRO 47 Ca 0.19 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.21 1rrf h PRO 47 Cb 0.80 -0.02 -0.21 0.00 0.11 0.00 0.00 31.00 31.68 1rrf h PRO 47 CO 0.60 0.06 -0.03 0.99 -0.21 0.00 0.00 178.00 179.41 1rrf s THR 48 N -5.12 0.02 -0.27 -1.15 2.01 -1.26 -5.09 115.64 104.79 1rrf s THR 48 Ca -0.06 -0.12 -0.41 0.00 0.31 0.00 0.00 61.69 61.41 1rrf s THR 48 Cb 0.19 -0.81 -0.17 0.00 0.01 0.00 0.00 72.50 71.72 1rrf s THR 48 CO 0.72 -0.07 1.65 -0.38 -0.69 0.00 0.00 174.62 175.85 1rrf n ILE 49 N 1.73 0.20 0.00 1.82 5.41 -1.26 -2.17 119.36 125.10 1rrf n ILE 49 Ca -0.18 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.54 1rrf n ILE 49 Cb 0.56 -1.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.49 1rrf n ILE 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1rrf n GLY 50 N 3.87 3.19 3.41 7.39 0.00 -1.26 -4.99 105.19 116.80 1rrf n GLY 50 Ca 0.26 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.83 1rrf n GLY 50 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1rrf s PHE 51 N -2.84 3.50 -0.38 1.61 5.36 -0.92 -5.01 117.98 119.31 1rrf s PHE 51 Ca 0.00 -1.84 -0.22 0.00 -0.96 0.00 0.00 56.93 53.91 1rrf s PHE 51 Cb 0.00 -4.11 0.01 0.00 -0.34 0.00 0.00 43.02 38.58 1rrf s PHE 51 CO 0.00 -1.27 0.71 -0.80 -1.46 0.00 0.00 175.22 172.40 1rrf s ASN 52 N 2.82 6.46 -0.27 6.13 0.02 -1.26 -3.34 114.94 125.50 1rrf s ASN 52 Ca 0.30 0.15 -0.02 0.00 -1.02 0.00 0.00 52.86 52.27 1rrf s ASN 52 Cb -0.06 -2.36 0.03 0.00 0.02 0.00 0.00 41.25 38.88 1rrf s ASN 52 CO -0.07 -0.70 -0.03 -0.69 0.02 0.00 0.00 177.10 175.63 1rrf s VAL 53 N 2.93 3.02 0.36 1.60 1.01 -0.58 -4.46 120.40 124.28 1rrf s VAL 53 Ca 0.27 -1.13 -0.03 0.00 0.00 0.00 0.00 61.98 61.10 1rrf s VAL 53 Cb -0.14 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 1rrf s VAL 53 CO 0.17 0.07 0.60 -1.61 0.00 0.00 0.00 175.10 174.33 1rrf s GLU 54 N 1.31 3.55 0.01 2.72 2.02 -0.85 -0.94 118.70 126.52 1rrf s GLU 54 Ca -0.02 -0.10 -0.23 0.00 0.02 0.00 0.00 54.97 54.64 1rrf s GLU 54 Cb -0.18 -2.59 0.05 0.00 0.10 0.00 0.00 34.13 31.51 1rrf s GLU 54 CO -0.03 0.09 0.52 0.99 0.02 0.00 0.00 175.26 176.86 1rrf s THR 55 N -2.33 0.03 0.17 3.63 2.01 -0.76 -1.44 115.64 116.95 1rrf s THR 55 Ca 0.43 -0.23 -0.03 0.00 0.31 0.00 0.00 61.69 62.16 1rrf s THR 55 Cb -0.10 -0.92 -0.03 0.00 0.01 0.00 0.00 72.50 71.46 1rrf s THR 55 CO 0.36 -0.13 0.16 -0.69 -0.69 0.00 0.00 174.62 173.63 1rrf s VAL 56 N -1.92 0.05 -0.30 3.82 1.01 -0.95 -0.09 120.40 122.02 1rrf s VAL 56 Ca -0.08 -1.80 -0.05 0.00 0.00 0.00 0.00 61.98 60.04 1rrf s VAL 56 Cb -0.01 -2.18 0.18 0.00 0.00 0.00 0.00 36.38 34.37 1rrf s VAL 56 CO 0.02 -0.23 0.76 -1.61 0.00 0.00 0.00 175.10 174.04 1rrf s GLU 57 N -4.07 0.44 -0.30 2.72 2.02 -1.26 -2.33 118.70 115.91 1rrf s GLU 57 Ca 0.28 0.79 -0.10 0.00 0.02 0.00 0.00 54.97 55.96 1rrf s GLU 57 Cb 0.06 0.44 -0.01 0.00 0.10 0.00 0.00 34.13 34.71 1rrf s GLU 57 CO 0.06 -0.47 0.15 -0.47 0.02 0.00 0.00 175.26 174.55 1rrf s TYR 58 N 2.89 3.18 0.00 1.61 6.14 -1.15 -4.79 117.35 125.23 1rrf s TYR 58 Ca 0.13 -0.49 0.00 0.00 0.64 0.00 0.00 57.07 57.35 1rrf s TYR 58 Cb -0.13 -2.35 0.00 0.00 0.42 0.00 0.00 41.96 39.89 1rrf s TYR 58 CO -0.18 -0.42 0.00 1.17 0.64 0.00 0.00 175.55 176.77 1rrf n LYS 59 N 4.99 0.00 -0.19 4.97 0.00 -1.26 -1.92 118.16 124.76 1rrf n LYS 59 Ca -0.14 0.00 0.08 0.00 0.00 0.00 0.00 58.31 58.25 1rrf n LYS 59 Cb 0.50 0.00 0.16 0.00 0.00 0.00 0.00 35.03 35.69 1rrf n LYS 59 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1rrf n ASN 60 N 4.27 2.83 -4.35 3.14 6.94 -1.26 -4.89 115.26 121.95 1rrf n ASN 60 Ca 0.00 -2.89 -0.39 0.00 -0.02 0.00 0.00 54.58 51.29 1rrf n ASN 60 Cb 0.00 -0.41 -0.12 0.00 -2.36 0.00 0.00 39.78 36.89 1rrf n ASN 60 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1rrf s ILE 61 N -2.55 4.18 -0.20 1.53 1.01 -0.81 -0.16 121.20 124.20 1rrf s ILE 61 Ca 0.31 -0.84 -0.06 0.00 0.00 0.00 0.00 60.65 60.07 1rrf s ILE 61 Cb 0.26 -3.27 -0.03 0.00 0.01 0.00 0.00 42.46 39.43 1rrf s ILE 61 CO 0.05 -0.09 0.03 -0.94 0.00 0.00 0.00 174.94 173.99 1rrf s SER 62 N 1.50 5.12 -0.52 3.58 1.04 0.16 -2.92 113.70 121.66 1rrf s SER 62 Ca 0.01 -0.12 -0.14 0.00 0.48 0.00 0.00 55.95 56.19 1rrf s SER 62 Cb -0.18 -1.88 0.12 0.00 0.10 0.00 0.00 66.02 64.18 1rrf s SER 62 CO 0.04 0.08 0.45 -0.36 0.98 0.00 0.00 173.24 174.44 1rrf s PHE 63 N 0.90 3.30 -0.18 5.02 0.40 -0.98 -0.75 117.98 125.68 1rrf s PHE 63 Ca 0.02 -1.43 -0.13 0.00 -0.60 0.00 0.00 56.93 54.79 1rrf s PHE 63 Cb -0.14 -3.69 -0.05 0.00 0.51 0.00 0.00 43.02 39.65 1rrf s PHE 63 CO 0.02 -1.00 0.28 0.99 0.70 0.00 0.00 175.22 176.21 1rrf s THR 64 N 1.54 5.31 0.01 0.64 2.01 -0.95 -2.23 115.64 121.96 1rrf s THR 64 Ca 0.04 0.51 0.04 0.00 0.31 0.00 0.00 61.69 62.58 1rrf s THR 64 Cb -0.29 -3.62 -0.01 0.00 0.01 0.00 0.00 72.50 68.59 1rrf s THR 64 CO 0.02 0.37 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.51 1rrf s VAL 65 N 0.60 0.98 -0.23 3.82 1.01 -0.52 -0.66 120.40 125.41 1rrf s VAL 65 Ca 0.15 -0.70 -0.27 0.00 0.00 0.00 0.00 61.98 61.17 1rrf s VAL 65 Cb -0.13 -0.86 0.10 0.00 0.00 0.00 0.00 36.38 35.50 1rrf s VAL 65 CO 0.04 0.15 0.89 -1.66 0.00 0.00 0.00 175.10 174.52 1rrf s TRP 66 N -0.51 -0.57 0.88 5.22 -2.14 -0.94 -2.01 118.94 118.87 1rrf s TRP 66 Ca 0.03 1.28 -0.11 0.00 2.66 0.00 0.00 56.10 59.96 1rrf s TRP 66 Cb -0.06 0.36 0.12 0.00 -3.10 0.00 0.00 33.47 30.79 1rrf s TRP 66 CO 0.00 -0.34 1.10 -0.51 -2.66 0.00 0.00 176.95 174.54 1rrf s ASP 67 N -0.16 3.52 0.05 -2.66 1.11 -1.26 -4.15 116.67 113.12 1rrf s ASP 67 Ca -0.01 1.77 -0.10 0.00 0.18 0.00 0.00 52.55 54.40 1rrf s ASP 67 Cb -0.04 -2.40 0.00 0.00 1.07 0.00 0.00 42.92 41.56 1rrf s ASP 67 CO -0.01 -2.65 0.20 0.54 1.18 0.00 0.00 175.17 174.43 1rrf s VAL 68 N -2.82 0.11 0.00 -1.27 0.11 -0.54 -4.89 120.40 111.10 1rrf s VAL 68 Ca 0.64 -0.91 0.00 0.00 -2.93 0.00 0.00 61.98 58.77 1rrf s VAL 68 Cb -0.19 -0.96 0.00 0.00 -1.53 0.00 0.00 36.38 33.70 1rrf s VAL 68 CO 0.57 -0.50 0.00 0.61 -3.33 0.00 0.00 175.10 172.45 1rrf n GLY 69 N 0.60 0.60 3.31 6.54 0.00 -1.26 -4.16 105.19 110.82 1rrf n GLY 69 Ca -0.18 -0.30 -0.17 0.00 0.00 0.00 0.00 46.02 45.37 1rrf n GLY 69 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rrf s GLY 70 N -2.66 1.94 0.00 -0.02 0.00 -1.26 -4.93 107.32 100.39 1rrf s GLY 70 Ca 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 44.72 42.85 1rrf s GLY 70 CO 0.00 -1.35 0.00 -1.06 0.00 0.00 0.00 173.10 170.69 1rrf n GLN 71 N -0.53 0.00 0.00 2.90 6.02 -1.26 -3.32 117.38 121.20 1rrf n GLN 71 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 1rrf n GLN 71 Cb 0.63 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.89 1rrf n GLN 71 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1rrf n ASP 72 N 0.00 0.00 -3.67 1.08 5.68 -1.26 -5.10 116.55 113.28 1rrf n ASP 72 Ca 0.00 0.00 -0.11 0.00 -0.50 0.00 0.00 54.79 54.18 1rrf n ASP 72 Cb 0.00 0.40 -0.11 0.00 -1.14 0.00 0.00 41.12 40.26 1rrf n ASP 72 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 1rrf s LYS 73 N -1.89 0.25 -0.15 0.11 -2.85 -1.21 -5.15 119.74 108.84 1rrf s LYS 73 Ca 0.00 0.86 -0.00 0.00 -1.00 0.00 0.00 55.97 55.82 1rrf s LYS 73 Cb 0.00 0.11 -0.01 0.00 -2.06 0.00 0.00 37.83 35.87 1rrf s LYS 73 CO 0.00 -0.25 -0.13 -1.50 0.10 0.00 0.00 175.35 173.57 1rrf s ILE 74 N 2.32 2.90 0.00 3.79 2.07 -1.26 -4.95 121.20 126.07 1rrf s ILE 74 Ca -0.02 -0.70 0.00 0.00 -1.41 0.00 0.00 60.65 58.53 1rrf s ILE 74 Cb -0.12 -2.23 0.00 0.00 0.13 0.00 0.00 42.46 40.24 1rrf s ILE 74 CO -0.11 0.51 0.00 -2.11 -1.91 0.00 0.00 174.94 171.32 1rrf n ARG 75 N 3.90 2.70 0.00 3.50 -4.01 -1.26 -4.98 116.66 116.50 1rrf n ARG 75 Ca -0.19 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.62 1rrf n ARG 75 Cb 0.52 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.94 1rrf n ARG 75 CO 0.00 0.00 0.00 -2.30 -3.04 0.00 0.00 177.63 172.29 1rrf n PRO 76 N 0.00 0.00 0.00 2.89 -0.02 -1.26 -2.45 135.00 134.16 1rrf n PRO 76 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1rrf n PRO 76 Cb 0.00 -0.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.90 1rrf n PRO 76 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1rrf n LEU 77 N -0.08 0.00 -0.21 2.45 7.94 -1.26 0.60 117.00 126.45 1rrf n LEU 77 Ca 0.00 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.82 1rrf n LEU 77 Cb 0.00 0.00 0.02 0.00 0.53 0.00 0.00 43.42 43.97 1rrf n LEU 77 CO 0.00 0.00 0.92 -0.50 -1.11 0.00 0.00 177.39 176.70 1rrf h TRP 78 N 0.00 0.96 -0.09 1.96 4.06 -1.89 -3.47 115.95 117.49 1rrf h TRP 78 Ca 0.00 -0.11 -0.13 0.00 2.06 0.00 0.00 58.89 60.71 1rrf h TRP 78 Cb 0.00 -0.27 -0.04 0.00 -1.00 0.00 0.00 29.16 27.84 1rrf h TRP 78 CO 0.00 0.82 0.99 0.54 -3.56 0.00 0.00 178.44 177.23 1rrf n ARG 79 N -4.39 0.14 0.00 0.49 1.74 2.56 -5.04 116.66 112.15 1rrf n ARG 79 Ca 0.03 -0.46 0.00 0.00 -0.77 0.00 0.00 57.85 56.65 1rrf n ARG 79 Cb 0.23 -2.06 0.00 0.00 -1.02 0.00 0.00 32.46 29.60 1rrf n ARG 79 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1rrf n PHE 82 N 10.47 0.00 0.00 -1.55 3.72 -1.26 -5.01 117.46 123.82 1rrf n PHE 82 Ca 0.41 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.81 1rrf n PHE 82 Cb 0.35 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 1rrf n PHE 82 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1rrf n GLN 83 N -0.64 0.00 -3.07 -1.08 1.13 -1.26 -4.06 117.38 108.40 1rrf n GLN 83 Ca 0.00 0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 54.69 1rrf n GLN 83 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.33 1rrf n GLN 83 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1rrf n ASN 84 N 0.00 5.66 -4.63 1.08 6.94 -1.26 -4.91 115.26 118.14 1rrf n ASN 84 Ca 0.00 -3.48 -0.43 0.00 -0.02 0.00 0.00 54.58 50.65 1rrf n ASN 84 Cb 0.00 -1.04 -0.02 0.00 -2.36 0.00 0.00 39.78 36.36 1rrf n ASN 84 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1rrf s THR 85 N -3.01 4.48 -0.82 5.53 2.01 -1.26 -4.25 115.64 118.31 1rrf s THR 85 Ca 0.36 1.66 0.17 0.00 0.31 0.00 0.00 61.69 64.18 1rrf s THR 85 Cb 0.11 -4.43 -0.17 0.00 0.01 0.00 0.00 72.50 68.01 1rrf s THR 85 CO 0.03 -0.54 0.72 1.67 -0.69 0.00 0.00 174.62 175.81 1rrf n GLN 86 N 6.98 1.49 -3.88 4.92 7.27 -0.75 -4.73 117.38 128.68 1rrf n GLN 86 Ca 0.12 -0.04 -0.19 0.00 0.07 0.00 0.00 57.00 56.96 1rrf n GLN 86 Cb 0.47 -1.29 -0.17 0.00 2.41 0.00 0.00 30.24 31.67 1rrf n GLN 86 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 1rrf s GLY 87 N -2.55 0.31 -0.29 1.69 0.00 -1.15 -3.13 107.32 102.20 1rrf s GLY 87 Ca 0.07 0.08 -0.01 0.00 0.00 0.00 0.00 44.72 44.86 1rrf s GLY 87 CO 0.68 0.82 -0.03 -2.27 0.00 0.00 0.00 173.10 172.29 1rrf s LEU 88 N 1.39 3.72 -0.23 0.66 2.96 -0.32 0.43 118.68 127.29 1rrf s LEU 88 Ca -0.04 -1.26 -0.09 0.00 -0.22 0.00 0.00 54.13 52.52 1rrf s LEU 88 Cb -0.13 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 1rrf s LEU 88 CO -0.03 -0.23 0.11 -0.63 -1.32 0.00 0.00 176.35 174.26 1rrf s ILE 89 N 1.23 4.88 -0.24 6.68 1.01 0.97 -1.25 121.20 134.48 1rrf s ILE 89 Ca -0.06 0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.63 1rrf s ILE 89 Cb -0.19 -3.27 0.04 0.00 0.01 0.00 0.00 42.46 39.05 1rrf s ILE 89 CO -0.02 0.36 -0.13 0.12 0.00 0.00 0.00 174.94 175.27 1rrf s PHE 90 N 1.13 3.10 -0.17 3.97 5.36 0.08 -2.36 117.98 129.10 1rrf s PHE 90 Ca 0.06 -2.05 -0.12 0.00 -0.96 0.00 0.00 56.93 53.85 1rrf s PHE 90 Cb -0.14 -1.94 -0.05 0.00 -0.34 0.00 0.00 43.02 40.55 1rrf s PHE 90 CO 0.04 -0.84 0.24 0.14 -1.46 0.00 0.00 175.22 173.33 1rrf s VAL 91 N 1.18 5.34 -0.16 3.12 -7.23 -0.98 -1.87 120.40 119.81 1rrf s VAL 91 Ca -0.04 0.42 -0.01 0.00 -1.81 0.00 0.00 61.98 60.55 1rrf s VAL 91 Cb -0.18 -3.57 -0.01 0.00 0.56 0.00 0.00 36.38 33.18 1rrf s VAL 91 CO -0.07 0.41 -0.13 -0.69 -0.31 0.00 0.00 175.10 174.31 1rrf s VAL 92 N 0.38 2.92 -0.90 1.32 1.01 -0.68 -4.27 120.40 120.18 1rrf s VAL 92 Ca 0.14 -0.69 -0.24 0.00 0.00 0.00 0.00 61.98 61.18 1rrf s VAL 92 Cb -0.12 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 1rrf s VAL 92 CO 0.02 0.51 1.85 -0.62 0.00 0.00 0.00 175.10 176.86 1rrf s ASP 93 N 0.73 5.38 0.42 3.32 2.15 -1.26 -2.08 116.67 125.33 1rrf s ASP 93 Ca -0.06 -0.73 0.30 0.00 0.43 0.00 0.00 52.55 52.50 1rrf s ASP 93 Cb -0.15 -2.56 1.42 0.00 -0.30 0.00 0.00 42.92 41.33 1rrf s ASP 93 CO 0.01 -2.51 1.51 -1.20 -0.17 0.00 0.00 175.17 172.82 1rrf n SER 94 N 13.01 0.22 0.12 -0.34 7.64 -1.26 -0.11 113.62 132.91 1rrf n SER 94 Ca 0.37 1.38 0.12 0.00 1.01 0.00 0.00 58.87 61.75 1rrf n SER 94 Cb 0.48 -0.68 0.48 0.00 -1.01 0.00 0.00 64.21 63.48 1rrf n SER 94 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1rrf n ASN 95 N -4.72 0.67 -4.42 6.43 4.05 -1.26 -3.73 115.26 112.27 1rrf n ASN 95 Ca 0.39 0.65 -0.44 0.00 0.45 0.00 0.00 54.58 55.62 1rrf n ASN 95 Cb 1.48 -0.80 -0.03 0.00 1.23 0.00 0.00 39.78 41.66 1rrf n ASN 95 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 177.26 172.40 1rrf s ASP 96 N -4.25 6.53 0.16 1.20 1.01 0.84 -4.84 116.67 117.32 1rrf s ASP 96 Ca 0.05 -1.93 0.08 0.00 0.71 0.00 0.00 52.55 51.46 1rrf s ASP 96 Cb 0.10 -2.36 -0.07 0.00 1.01 0.00 0.00 42.92 41.60 1rrf s ASP 96 CO 0.42 -1.04 1.36 0.03 0.21 0.00 0.00 175.17 176.15 1rrf h ARG 97 N 8.81 0.01 -0.13 8.23 3.08 -1.84 -3.26 114.38 129.28 1rrf h ARG 97 Ca 0.03 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1rrf h ARG 97 Cb 1.04 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 1rrf h ARG 97 CO 1.06 0.91 0.06 1.49 -1.07 0.00 0.00 179.97 182.42 1rrf h GLU 98 N 0.00 0.19 -0.00 0.04 4.81 -1.97 -3.12 114.58 114.53 1rrf h GLU 98 Ca -0.01 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1rrf h GLU 98 Cb 1.60 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.95 1rrf h GLU 98 CO 0.12 0.26 -0.08 0.54 -0.73 0.00 0.00 179.01 179.12 1rrf n ARG 99 N -4.91 0.40 -0.27 1.92 1.74 -1.25 -3.96 116.66 110.34 1rrf n ARG 99 Ca -0.05 -0.08 0.01 0.00 -0.77 0.00 0.00 57.85 56.96 1rrf n ARG 99 Cb 0.10 -1.50 0.23 0.00 -1.02 0.00 0.00 32.46 30.27 1rrf n ARG 99 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 1rrf h VAL 100 N 0.19 1.16 -0.97 1.55 -1.51 -1.58 0.31 116.25 115.41 1rrf h VAL 100 Ca 0.00 -0.37 0.16 0.00 -1.23 0.00 0.00 66.70 65.27 1rrf h VAL 100 Cb 0.37 0.00 -0.09 0.00 -2.13 0.00 0.00 31.29 29.44 1rrf h VAL 100 CO 0.00 0.19 0.61 0.78 -1.23 0.00 0.00 177.57 177.92 1rrf h ASN 101 N 1.07 0.75 -0.15 4.19 2.35 -1.78 0.54 115.58 122.55 1rrf h ASN 101 Ca 0.32 0.06 -0.17 0.00 -0.55 0.00 0.00 56.30 55.97 1rrf h ASN 101 Cb -0.02 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.27 1rrf h ASN 101 CO -0.09 0.34 -0.51 -0.33 -1.65 0.00 0.00 177.43 175.19 1rrf h GLU 102 N 0.77 0.72 -0.00 0.81 5.08 -0.70 -0.78 114.58 120.49 1rrf h GLU 102 Ca 0.51 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1rrf h GLU 102 Cb 0.78 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 1rrf h GLU 102 CO -0.28 1.05 0.01 0.00 -1.00 0.00 0.00 179.01 178.80 1rrf h ALA 103 N 0.86 1.05 0.04 3.43 0.00 0.13 -1.08 119.26 123.69 1rrf h ALA 103 Ca 0.02 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.66 1rrf h ALA 103 Cb 1.07 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1rrf h ALA 103 CO 0.11 -0.01 -1.40 -0.09 0.00 0.00 0.00 179.25 177.85 1rrf h ARG 104 N 0.00 0.09 0.00 0.00 2.43 0.12 -1.64 114.38 115.39 1rrf h ARG 104 Ca 0.00 -0.16 -0.16 0.00 -0.81 0.00 0.00 59.98 58.86 1rrf h ARG 104 Cb 0.03 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1rrf h ARG 104 CO -0.00 0.90 -0.74 1.49 -1.51 0.00 0.00 179.97 180.11 1rrf h GLU 105 N 0.03 0.00 0.16 0.20 4.81 -0.87 -0.87 114.58 118.04 1rrf h GLU 105 Ca -0.17 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.71 1rrf h GLU 105 Cb 1.93 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.31 1rrf h GLU 105 CO 0.13 0.74 -1.73 0.93 -0.73 0.00 0.00 179.01 178.35 1rrf h GLU 106 N 0.00 0.34 0.09 1.92 4.39 -1.37 -1.25 114.58 118.71 1rrf h GLU 106 Ca -0.01 -0.59 -0.00 0.00 0.34 0.00 0.00 59.36 59.10 1rrf h GLU 106 Cb 1.41 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 30.28 1rrf h GLU 106 CO 0.10 1.25 -0.04 1.25 -1.16 0.00 0.00 179.01 180.40 1rrf h LEU 107 N 0.09 -0.10 -1.12 1.33 6.46 -1.23 -3.01 115.31 117.73 1rrf h LEU 107 Ca -0.33 -0.35 -0.01 0.00 -0.12 0.00 0.00 57.88 57.08 1rrf h LEU 107 Cb 2.08 0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 41.99 1rrf h LEU 107 CO 0.16 0.31 0.45 0.24 -0.62 0.00 0.00 178.44 178.99 1rrf h MET 108 N -0.52 1.06 -0.15 1.25 2.86 -1.31 -3.05 114.93 115.06 1rrf h MET 108 Ca -0.01 -0.10 -0.06 0.00 -2.06 0.00 0.00 59.70 57.47 1rrf h MET 108 Cb 0.44 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1rrf h MET 108 CO 0.02 0.75 -0.19 -0.09 1.06 0.00 0.00 176.91 178.46 1rrf h ARG 109 N 1.07 0.25 0.00 1.72 2.43 -1.12 -3.19 114.38 115.54 1rrf h ARG 109 Ca 0.28 -0.07 -0.20 0.00 -0.81 0.00 0.00 59.98 59.18 1rrf h ARG 109 Cb -0.02 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 1rrf h ARG 109 CO -0.05 0.45 -1.09 1.98 -1.51 0.00 0.00 179.97 179.74 1rrf h MET 110 N 0.23 0.00 0.00 0.20 4.05 -1.44 -3.27 114.93 114.70 1rrf h MET 110 Ca 0.04 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.46 1rrf h MET 110 Cb 0.48 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.28 1rrf h MET 110 CO 0.03 0.69 -0.10 -0.11 0.23 0.00 0.00 176.91 177.65 1rrf n LEU 111 N -3.20 0.73 0.08 3.39 0.00 -1.16 -3.16 117.00 113.69 1rrf n LEU 111 Ca -0.04 0.51 -0.13 0.00 0.00 0.00 0.00 56.01 56.35 1rrf n LEU 111 Cb 0.90 -0.31 -0.13 0.00 0.00 0.00 0.00 43.42 43.88 1rrf n LEU 111 CO 0.45 -0.15 -0.01 0.00 0.00 0.00 0.00 177.39 177.68 1rrf h ALA 112 N 2.56 0.21 -2.39 1.96 0.00 -1.60 -3.47 119.26 116.53 1rrf h ALA 112 Ca 0.00 -0.92 -0.57 0.00 0.00 0.00 0.00 54.91 53.42 1rrf h ALA 112 Cb 0.72 -0.03 0.18 0.00 0.00 0.00 0.00 17.79 18.67 1rrf h ALA 112 CO 0.00 1.09 -0.56 0.39 0.00 0.00 0.00 179.25 180.18 1rrf n GLU 113 N -3.46 0.32 0.05 0.00 -0.58 -1.19 -4.94 120.64 110.85 1rrf n GLU 113 Ca -0.06 0.14 -0.11 0.00 -0.42 0.00 0.00 57.16 56.71 1rrf n GLU 113 Cb 1.00 -1.65 -0.08 0.00 -0.57 0.00 0.00 31.44 30.13 1rrf n GLU 113 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1rrf h ASP 114 N -0.17 -0.17 -0.24 1.62 3.32 -1.92 -3.36 116.42 115.50 1rrf h ASP 114 Ca -0.45 -0.37 0.03 0.00 0.02 0.00 0.00 57.03 56.26 1rrf h ASP 114 Cb 1.37 0.04 -0.05 0.00 0.22 0.00 0.00 39.33 40.91 1rrf h ASP 114 CO 0.43 0.38 -0.39 -0.33 -1.72 0.00 0.00 179.24 177.61 1rrf h GLU 115 N -0.84 -0.31 -2.38 3.56 5.08 -1.92 -2.00 114.58 115.77 1rrf h GLU 115 Ca -0.02 0.02 -0.40 0.00 -1.00 0.00 0.00 59.36 57.96 1rrf h GLU 115 Cb 0.53 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 1rrf h GLU 115 CO 0.03 -0.20 1.26 1.28 -1.00 0.00 0.00 179.01 180.38 1rrf n LEU 116 N -4.59 6.66 0.01 1.33 4.32 -1.26 -4.53 117.00 118.94 1rrf n LEU 116 Ca -0.03 -3.71 -0.18 0.00 -0.02 0.00 0.00 56.01 52.07 1rrf n LEU 116 Cb 0.25 -1.46 -0.13 0.00 -1.62 0.00 0.00 43.42 40.46 1rrf n LEU 116 CO 0.02 1.85 0.19 -0.09 -1.22 0.00 0.00 177.39 178.14 1rrf h ARG 117 N 3.76 0.26 -2.29 3.23 2.43 -1.51 -3.37 114.38 116.89 1rrf h ARG 117 Ca 0.46 -0.38 -0.66 0.00 -0.81 0.00 0.00 59.98 58.59 1rrf h ARG 117 Cb 0.99 0.13 -0.37 0.00 -0.42 0.00 0.00 29.97 30.30 1rrf h ARG 117 CO 0.86 1.13 -0.09 -0.25 -1.51 0.00 0.00 179.97 180.11 1rrf n ASP 118 N -4.27 5.36 -3.92 -3.80 8.00 -1.26 -4.96 116.55 111.70 1rrf n ASP 118 Ca -0.12 -3.66 -0.30 0.00 0.71 0.00 0.00 54.79 51.41 1rrf n ASP 118 Cb 0.70 -0.77 -0.16 0.00 -0.02 0.00 0.00 41.12 40.87 1rrf n ASP 118 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rrf s ALA 119 N -3.64 1.96 0.20 2.24 0.00 -1.26 -4.89 121.76 116.36 1rrf s ALA 119 Ca 0.45 -1.43 -0.32 0.00 0.00 0.00 0.00 51.96 50.65 1rrf s ALA 119 Cb 0.24 -1.47 -0.15 0.00 0.00 0.00 0.00 23.12 21.74 1rrf s ALA 119 CO -0.12 -1.26 1.31 0.28 0.00 0.00 0.00 175.76 175.97 1rrf n VAL 120 N 4.67 0.79 -3.62 0.00 0.31 -1.18 -4.54 118.33 114.76 1rrf n VAL 120 Ca -0.10 -0.20 -0.40 0.00 -0.01 0.00 0.00 64.34 63.63 1rrf n VAL 120 Cb 0.44 -1.17 -0.11 0.00 -0.91 0.00 0.00 33.84 32.08 1rrf n VAL 120 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1rrf s LEU 121 N 0.42 4.61 -0.11 7.52 0.20 -1.10 -1.18 118.68 129.04 1rrf s LEU 121 Ca 0.72 -0.96 0.02 0.00 0.69 0.00 0.00 54.13 54.60 1rrf s LEU 121 Cb -0.76 -2.01 -0.01 0.00 -0.43 0.00 0.00 46.19 42.99 1rrf s LEU 121 CO 0.50 -0.36 -0.18 -0.22 -0.29 0.00 0.00 176.35 175.80 1rrf s LEU 122 N 1.55 2.46 0.02 -0.68 2.96 -0.38 -0.71 118.68 123.89 1rrf s LEU 122 Ca 0.02 -0.41 0.06 0.00 -0.22 0.00 0.00 54.13 53.58 1rrf s LEU 122 Cb -0.19 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 1rrf s LEU 122 CO 0.06 0.18 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.42 1rrf s VAL 123 N 0.26 2.92 -0.31 1.68 1.01 0.57 -0.74 120.40 125.79 1rrf s VAL 123 Ca -0.12 -1.05 -0.01 0.00 0.00 0.00 0.00 61.98 60.79 1rrf s VAL 123 Cb -0.16 -2.21 0.06 0.00 0.00 0.00 0.00 36.38 34.06 1rrf s VAL 123 CO 0.07 0.40 0.01 -0.36 0.00 0.00 0.00 175.10 175.21 1rrf s PHE 124 N -0.89 3.32 -0.63 5.22 0.08 -0.78 -2.76 117.98 121.54 1rrf s PHE 124 Ca 0.14 -2.03 -0.28 0.00 0.12 0.00 0.00 56.93 54.89 1rrf s PHE 124 Cb -0.11 -2.26 0.02 0.00 -0.57 0.00 0.00 43.02 40.11 1rrf s PHE 124 CO 0.05 -0.84 1.32 0.00 -0.10 0.00 0.00 175.22 175.65 1rrf s ALA 125 N 1.21 2.82 -0.05 5.36 0.00 -0.57 -1.69 121.76 128.83 1rrf s ALA 125 Ca -0.03 -0.96 -0.01 0.00 0.00 0.00 0.00 51.96 50.96 1rrf s ALA 125 Cb -0.20 -4.15 -0.00 0.00 0.00 0.00 0.00 23.12 18.77 1rrf s ALA 125 CO -0.02 -3.02 -0.01 -0.97 0.00 0.00 0.00 175.76 171.74 1rrf h ASN 126 N 10.40 0.00 0.00 0.00 -1.24 -1.69 0.75 115.58 123.79 1rrf h ASN 126 Ca -0.27 0.00 -0.66 0.00 0.71 0.00 0.00 56.30 56.08 1rrf h ASN 126 Cb 1.07 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.12 1rrf h ASN 126 CO 1.22 0.25 3.38 0.29 -1.29 0.00 0.00 177.43 181.28 1rrf n LYS 127 N -3.30 3.10 -0.08 6.67 5.02 -1.26 -3.51 118.16 124.80 1rrf n LYS 127 Ca -0.00 -2.27 0.01 0.00 -2.02 0.00 0.00 58.31 54.02 1rrf n LYS 127 Cb 0.02 -2.97 0.04 0.00 -0.02 0.00 0.00 35.03 32.10 1rrf n LYS 127 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1rrf n GLN 128 N 4.83 1.33 0.00 1.97 3.00 -1.14 -3.26 117.38 124.11 1rrf n GLN 128 Ca 0.64 -0.30 0.08 0.00 -0.01 0.00 0.00 57.00 57.40 1rrf n GLN 128 Cb 0.29 -1.43 0.01 0.00 0.00 0.00 0.00 30.24 29.12 1rrf n GLN 128 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 1rrf n ASP 129 N -0.04 1.73 -4.77 1.08 5.68 -1.26 -5.00 116.55 113.98 1rrf n ASP 129 Ca 0.03 -1.37 -0.39 0.00 -0.50 0.00 0.00 54.79 52.57 1rrf n ASP 129 Cb 0.26 0.39 -0.06 0.00 -1.14 0.00 0.00 41.12 40.58 1rrf n ASP 129 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1rrf s LEU 130 N -1.91 4.41 0.33 -2.12 1.43 -1.20 -4.99 118.68 114.63 1rrf s LEU 130 Ca 0.14 1.11 0.11 0.00 -1.03 0.00 0.00 54.13 54.45 1rrf s LEU 130 Cb 0.13 -2.86 0.91 0.00 0.03 0.00 0.00 46.19 44.39 1rrf s LEU 130 CO 0.37 0.11 1.74 -0.65 0.23 0.00 0.00 176.35 178.15 1rrf h PRO 131 N 5.65 0.55 -4.07 1.29 0.11 -1.94 -2.30 132.00 131.28 1rrf h PRO 131 Ca -0.45 -0.03 -0.75 0.00 0.11 0.00 0.00 66.00 64.88 1rrf h PRO 131 Cb 1.20 -0.12 -0.16 0.00 0.11 0.00 0.00 31.00 32.02 1rrf h PRO 131 CO 0.69 0.36 1.74 0.09 -0.21 0.00 0.00 178.00 180.68 1rrf n ASN 132 N -4.85 5.14 -4.93 -2.05 3.02 -1.26 -4.95 115.26 105.38 1rrf n ASN 132 Ca 0.27 -3.05 -0.27 0.00 -0.03 0.00 0.00 54.58 51.50 1rrf n ASN 132 Cb 0.76 -1.52 -0.03 0.00 -0.61 0.00 0.00 39.78 38.37 1rrf n ASN 132 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rrf s ALA 133 N 0.94 3.90 -0.30 5.41 0.00 -0.87 -4.43 121.76 126.42 1rrf s ALA 133 Ca 0.41 -0.92 -0.06 0.00 0.00 0.00 0.00 51.96 51.39 1rrf s ALA 133 Cb 0.04 -1.89 0.02 0.00 0.00 0.00 0.00 23.12 21.29 1rrf s ALA 133 CO 0.00 0.50 0.06 1.41 0.00 0.00 0.00 175.76 177.74 1rrf s MET 134 N -3.24 2.94 1.01 0.00 1.75 -1.24 -5.02 119.30 115.50 1rrf s MET 134 Ca 0.36 -0.95 -0.12 0.00 -1.25 0.00 0.00 55.69 53.73 1rrf s MET 134 Cb -0.11 -3.33 0.20 0.00 2.84 0.00 0.00 34.83 34.43 1rrf s MET 134 CO 0.29 -0.49 1.08 0.54 -0.65 0.00 0.00 175.02 175.79 1rrf s ASN 135 N 1.45 2.41 0.25 1.11 4.22 -1.26 -4.72 114.94 118.39 1rrf s ASN 135 Ca 0.01 1.41 -0.04 0.00 -2.14 0.00 0.00 52.86 52.10 1rrf s ASN 135 Cb -0.18 -2.10 0.46 0.00 1.28 0.00 0.00 41.25 40.71 1rrf s ASN 135 CO 0.01 -3.30 1.74 0.00 -2.04 0.00 0.00 177.10 173.52 1rrf h ALA 136 N -2.00 1.10 -0.62 3.54 0.00 -1.96 0.23 119.26 119.54 1rrf h ALA 136 Ca -0.54 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1rrf h ALA 136 Cb 1.32 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 1rrf h ALA 136 CO 0.54 -0.16 0.36 0.00 0.00 0.00 0.00 179.25 180.00 1rrf h ALA 137 N 1.53 1.47 -0.05 0.00 0.00 -1.97 0.43 119.26 120.67 1rrf h ALA 137 Ca 0.42 -0.08 -0.24 0.00 0.00 0.00 0.00 54.91 55.00 1rrf h ALA 137 Cb 0.59 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1rrf h ALA 137 CO -0.37 0.45 -0.93 0.93 0.00 0.00 0.00 179.25 179.33 1rrf h GLU 138 N 0.86 0.67 -0.17 0.00 5.08 -1.68 -3.18 114.58 116.16 1rrf h GLU 138 Ca 0.22 -0.65 -0.09 0.00 -1.00 0.00 0.00 59.36 57.85 1rrf h GLU 138 Cb -0.02 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1rrf h GLU 138 CO -0.04 1.25 -0.28 0.82 -1.00 0.00 0.00 179.01 179.76 1rrf h ILE 139 N 0.41 1.26 0.00 3.13 1.08 0.11 -2.33 117.51 121.16 1rrf h ILE 139 Ca -0.09 -1.24 0.00 0.00 -0.39 0.00 0.00 64.86 63.14 1rrf h ILE 139 Cb 1.57 1.44 0.00 0.00 -3.07 0.00 0.00 36.82 36.76 1rrf h ILE 139 CO 0.18 0.38 0.00 0.41 -0.69 0.00 0.00 178.15 178.43 1rrf n THR 140 N -4.12 0.68 -0.11 -0.27 -1.04 0.13 -2.22 114.28 107.33 1rrf n THR 140 Ca -0.01 0.07 -0.20 0.00 -2.04 0.00 0.00 64.05 61.87 1rrf n THR 140 Cb 0.40 -0.88 -0.09 0.00 -1.82 0.00 0.00 70.33 67.94 1rrf n THR 140 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1rrf n ASP 141 N -1.97 1.88 0.00 8.00 2.03 -1.19 -2.26 116.55 123.05 1rrf n ASP 141 Ca 0.04 0.12 0.08 0.00 0.52 0.00 0.00 54.79 55.55 1rrf n ASP 141 Cb 0.28 -0.52 0.44 0.00 -0.72 0.00 0.00 41.12 40.60 1rrf n ASP 141 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1rrf n LYS 142 N -3.65 0.35 0.00 -0.67 4.76 -0.88 -2.80 118.16 115.27 1rrf n LYS 142 Ca -0.41 0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.11 1rrf n LYS 142 Cb 0.84 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.53 1rrf n LYS 142 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1rrf n LEU 143 N -1.17 0.00 -3.50 -0.35 4.77 -0.94 -4.74 117.00 111.08 1rrf n LEU 143 Ca 0.10 -0.26 -0.21 0.00 -0.03 0.00 0.00 56.01 55.61 1rrf n LEU 143 Cb 0.10 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.27 1rrf n LEU 143 CO 0.11 0.00 0.18 0.61 -1.33 0.00 0.00 177.39 176.97 1rrf n GLY 144 N 0.90 -0.45 0.00 -0.72 0.00 -1.12 -4.90 105.19 98.90 1rrf n GLY 144 Ca 0.00 0.18 0.13 0.00 0.00 0.00 0.00 46.02 46.33 1rrf n GLY 144 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rrf n LEU 145 N -4.58 0.00 -0.27 0.99 4.77 -0.96 -3.01 117.00 113.94 1rrf n LEU 145 Ca -0.13 0.36 0.13 0.00 -0.03 0.00 0.00 56.01 56.34 1rrf n LEU 145 Cb 0.61 -0.36 0.39 0.00 -2.33 0.00 0.00 43.42 41.73 1rrf n LEU 145 CO 0.63 -0.04 0.68 1.41 -1.33 0.00 0.00 177.39 178.73 1rrf n HIS 146 N -1.36 0.00 -0.09 -1.77 8.25 -1.26 -3.74 115.22 115.26 1rrf n HIS 146 Ca 0.11 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.35 1rrf n HIS 146 Cb 0.25 -0.11 -0.12 0.00 1.12 0.00 0.00 29.99 31.13 1rrf n HIS 146 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1rrf n SER 147 N -0.56 2.00 -3.42 0.41 3.41 -1.16 -4.92 113.62 109.38 1rrf n SER 147 Ca 0.13 0.13 -0.34 0.00 -0.26 0.00 0.00 58.87 58.53 1rrf n SER 147 Cb 0.35 -0.70 -0.11 0.00 -0.26 0.00 0.00 64.21 63.49 1rrf n SER 147 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1rrf n LEU 148 N -3.67 0.29 -3.52 1.04 7.94 -1.25 -4.82 117.00 113.02 1rrf n LEU 148 Ca -0.42 0.21 -0.38 0.00 -1.11 0.00 0.00 56.01 54.31 1rrf n LEU 148 Cb 0.95 -0.70 0.01 0.00 0.53 0.00 0.00 43.42 44.20 1rrf n LEU 148 CO 0.26 -0.56 1.14 -2.11 -1.11 0.00 0.00 177.39 175.01 1rrf n ARG 149 N 6.39 4.91 0.00 1.96 1.85 -1.26 -4.70 116.66 125.80 1rrf n ARG 149 Ca 0.49 -4.70 0.00 0.00 -1.00 0.00 0.00 57.85 52.64 1rrf n ARG 149 Cb 0.01 -2.42 0.00 0.00 -1.05 0.00 0.00 32.46 29.00 1rrf n ARG 149 CO 0.00 0.00 0.00 -2.39 -0.01 0.00 0.00 177.63 175.23 1rrf n HIS 150 N 0.00 0.00 -1.08 2.89 -0.00 -1.26 -5.16 115.22 110.61 1rrf n HIS 150 Ca 0.42 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.78 1rrf n HIS 150 Cb 0.29 0.00 0.06 0.00 -0.00 0.00 0.00 29.99 30.34 1rrf n HIS 150 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1rrf n ARG 151 N -0.28 0.04 -4.00 -1.40 5.12 -1.26 -4.99 116.66 109.88 1rrf n ARG 151 Ca 0.00 0.04 -0.35 0.00 -1.93 0.00 0.00 57.85 55.61 1rrf n ARG 151 Cb 0.00 -1.45 -0.13 0.00 -1.16 0.00 0.00 32.46 29.72 1rrf n ARG 151 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1rrf s ASN 152 N -1.37 4.86 0.35 0.55 3.84 -1.26 -5.05 114.94 116.86 1rrf s ASN 152 Ca 0.55 -0.21 0.02 0.00 0.21 0.00 0.00 52.86 53.42 1rrf s ASN 152 Cb -0.29 -1.84 -0.01 0.00 -0.55 0.00 0.00 41.25 38.56 1rrf s ASN 152 CO 0.69 0.04 0.06 -2.67 -2.79 0.00 0.00 177.10 172.44 1rrf n TRP 153 N 4.38 0.46 -3.58 0.43 4.27 -1.26 -2.72 117.44 119.42 1rrf n TRP 153 Ca -0.17 -1.99 -0.08 0.00 -3.89 0.00 0.00 57.50 51.37 1rrf n TRP 153 Cb 0.52 -0.11 -0.04 0.00 -1.36 0.00 0.00 31.31 30.31 1rrf n TRP 153 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 1rrf s TYR 154 N -2.60 -0.28 -0.19 -2.67 6.14 0.11 -4.94 117.35 112.92 1rrf s TYR 154 Ca 0.09 0.42 -0.05 0.00 0.64 0.00 0.00 57.07 58.17 1rrf s TYR 154 Cb 0.00 0.48 0.07 0.00 0.42 0.00 0.00 41.96 42.93 1rrf s TYR 154 CO 0.06 -0.30 0.13 -1.50 0.64 0.00 0.00 175.55 174.59 1rrf s ILE 155 N -1.50 -0.15 -0.19 3.14 2.07 -1.26 -0.31 121.20 123.00 1rrf s ILE 155 Ca 0.02 -0.22 -0.09 0.00 -1.41 0.00 0.00 60.65 58.95 1rrf s ILE 155 Cb -0.01 -0.65 -0.05 0.00 0.13 0.00 0.00 42.46 41.89 1rrf s ILE 155 CO -0.02 -0.31 0.12 -1.58 -1.91 0.00 0.00 174.94 171.23 1rrf s GLN 156 N 2.18 4.07 0.36 3.50 2.00 -1.11 -4.94 119.66 125.73 1rrf s GLN 156 Ca 0.04 -0.24 -0.24 0.00 -2.00 0.00 0.00 55.36 52.92 1rrf s GLN 156 Cb -0.16 -3.35 -0.10 0.00 0.80 0.00 0.00 33.01 30.20 1rrf s GLN 156 CO -0.13 0.34 0.95 0.00 -0.50 0.00 0.00 175.29 175.95 1rrf s ALA 157 N 0.23 3.15 0.00 1.58 0.00 -1.26 -1.52 121.76 123.95 1rrf s ALA 157 Ca 0.08 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.52 1rrf s ALA 157 Cb -0.11 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.83 1rrf s ALA 157 CO -0.01 0.15 0.00 0.25 0.00 0.00 0.00 175.76 176.15 1rrf n THR 158 N 0.15 0.00 -2.71 0.00 -2.24 0.26 -4.28 114.28 105.46 1rrf n THR 158 Ca 0.04 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.75 1rrf n THR 158 Cb 0.51 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.82 1rrf n THR 158 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rrf n ALA 160 N 1.17 -0.03 -0.15 0.00 0.00 -1.26 0.85 120.51 121.09 1rrf n ALA 160 Ca 0.05 0.04 -0.02 0.00 0.00 0.00 0.00 53.44 53.50 1rrf n ALA 160 Cb 0.68 0.03 -0.00 0.00 0.00 0.00 0.00 19.45 20.16 1rrf n ALA 160 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1rrf n THR 161 N -2.90 -0.22 0.59 0.00 -1.04 -1.26 0.26 114.28 109.71 1rrf n THR 161 Ca 0.00 0.91 0.10 0.00 -2.04 0.00 0.00 64.05 63.02 1rrf n THR 161 Cb 0.01 -1.17 -0.14 0.00 -1.82 0.00 0.00 70.33 67.22 1rrf n THR 161 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1rrf n SER 162 N -4.53 0.62 0.00 8.00 3.41 0.11 -5.01 113.62 116.22 1rrf n SER 162 Ca 0.03 -0.60 0.00 0.00 -0.26 0.00 0.00 58.87 58.04 1rrf n SER 162 Cb 0.13 1.39 0.00 0.00 -0.26 0.00 0.00 64.21 65.48 1rrf n SER 162 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rrf n GLY 163 N 1.41 0.60 3.69 5.00 0.00 0.74 -5.03 105.19 111.60 1rrf n GLY 163 Ca 0.01 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 1rrf n GLY 163 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rrf s ASP 164 N -2.85 7.27 0.00 1.61 1.01 -1.23 -2.99 116.67 119.49 1rrf s ASP 164 Ca 0.00 1.59 0.00 0.00 0.71 0.00 0.00 52.55 54.85 1rrf s ASP 164 Cb 0.00 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.37 1rrf s ASP 164 CO 0.00 -0.40 0.00 0.61 0.21 0.00 0.00 175.17 175.59 1rrf n GLY 165 N 3.05 3.41 0.18 0.21 0.00 -1.26 -2.21 105.19 108.58 1rrf n GLY 165 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.03 1rrf n GLY 165 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1rrf h LEU 166 N 0.00 0.39 -0.89 0.99 3.38 -1.83 0.41 115.31 117.76 1rrf h LEU 166 Ca 0.00 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 1rrf h LEU 166 Cb 0.00 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1rrf h LEU 166 CO 0.00 0.28 -0.48 0.22 0.09 0.00 0.00 178.44 178.55 1rrf h TYR 167 N 0.50 0.22 0.00 1.13 5.03 -1.92 0.14 116.97 122.07 1rrf h TYR 167 Ca 0.17 -0.07 -0.18 0.00 2.58 0.00 0.00 58.73 61.23 1rrf h TYR 167 Cb 0.02 -0.05 -0.02 0.00 1.55 0.00 0.00 36.73 38.24 1rrf h TYR 167 CO -0.08 0.63 -0.85 0.93 -1.32 0.00 0.00 178.16 177.48 1rrf h GLU 168 N 0.15 0.06 0.00 1.82 5.08 -1.81 -2.05 114.58 117.84 1rrf h GLU 168 Ca 0.01 -0.07 -0.24 0.00 -1.00 0.00 0.00 59.36 58.06 1rrf h GLU 168 Cb 0.90 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.13 1rrf h GLU 168 CO 0.07 0.87 -1.39 0.78 -1.00 0.00 0.00 179.01 178.34 1rrf h GLY 169 N 2.26 0.00 1.52 -3.84 0.00 0.04 -3.32 103.07 99.72 1rrf h GLY 169 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1rrf h GLY 169 CO 0.12 0.00 -0.42 1.41 0.00 0.00 0.00 176.54 177.64 1rrf h LEU 170 N 0.00 0.00 -1.26 3.11 3.38 -0.72 -3.07 115.31 116.76 1rrf h LEU 170 Ca -0.17 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.67 1rrf h LEU 170 Cb 1.84 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.58 1rrf h LEU 170 CO 0.09 0.03 -0.32 -0.78 0.09 0.00 0.00 178.44 177.54 1rrf h ASP 171 N 0.00 0.00 0.09 -0.43 1.82 -1.47 -1.92 116.42 114.50 1rrf h ASP 171 Ca 0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1rrf h ASP 171 Cb 0.88 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.89 1rrf h ASP 171 CO 0.00 0.32 -0.04 -0.25 -1.61 0.00 0.00 179.24 177.66 1rrf h TRP 172 N 0.00 -0.11 -0.30 0.28 7.01 -1.65 -2.85 115.95 118.34 1rrf h TRP 172 Ca -0.00 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.05 1rrf h TRP 172 Cb 0.70 0.04 -0.06 0.00 -2.10 0.00 0.00 29.16 27.74 1rrf h TRP 172 CO 0.00 0.38 -0.07 1.25 -2.79 0.00 0.00 178.44 177.22 1rrf h LEU 173 N -0.92 -0.27 -0.29 0.65 6.46 -1.47 -0.77 115.31 118.69 1rrf h LEU 173 Ca -0.01 0.09 0.05 0.00 -0.12 0.00 0.00 57.88 57.88 1rrf h LEU 173 Cb 0.54 0.18 -0.08 0.00 -0.73 0.00 0.00 40.66 40.58 1rrf h LEU 173 CO 0.02 -0.09 -0.51 0.28 -0.62 0.00 0.00 178.44 177.51 1rrf h SER 174 N 0.01 -1.68 -0.52 1.25 0.02 -1.47 0.18 113.55 111.34 1rrf h SER 174 Ca 0.15 0.22 0.02 0.00 -0.84 0.00 0.00 61.79 61.33 1rrf h SER 174 Cb 0.22 0.68 -0.03 0.00 0.14 0.00 0.00 62.40 63.41 1rrf h SER 174 CO -0.31 -0.43 0.32 0.78 -1.14 0.00 0.00 176.83 176.06 1rrf h ASN 175 N -0.45 0.53 0.01 3.07 4.21 -1.23 0.91 115.58 122.63 1rrf h ASN 175 Ca 0.07 -0.00 0.03 0.00 1.21 0.00 0.00 56.30 57.61 1rrf h ASN 175 Cb 0.63 -0.12 -0.05 0.00 -1.12 0.00 0.00 38.32 37.67 1rrf h ASN 175 CO -0.52 0.37 -0.29 1.56 -1.29 0.00 0.00 177.43 177.26 1rrf h GLN 176 N 0.64 -0.43 0.00 0.81 1.08 -0.07 0.01 115.11 117.15 1rrf h GLN 176 Ca 0.20 0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 57.40 1rrf h GLN 176 Cb -0.01 0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 1rrf h GLN 176 CO -0.08 -0.29 -0.17 -0.07 -0.95 0.00 0.00 178.83 177.28 1rrf h LEU 177 N -0.45 0.00 0.00 1.46 3.38 -0.89 -3.52 115.31 115.30 1rrf h LEU 177 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1rrf h LEU 177 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1rrf h LEU 177 CO -0.24 0.17 0.00 -1.14 0.09 0.00 0.00 178.44 177.32