#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mrf s VAL 2 N 0.00 4.66 -0.17 2.53 1.01 -1.26 -5.03 120.40 122.14 1mrf s VAL 2 Ca 0.00 2.06 -0.13 0.00 0.00 0.00 0.00 61.98 63.91 1mrf s VAL 2 Cb 0.00 -4.32 -0.05 0.00 0.00 0.00 0.00 36.38 32.01 1mrf s VAL 2 CO 0.00 0.25 0.27 0.54 0.00 0.00 0.00 175.10 176.16 1mrf s VAL 3 N 0.43 5.32 -0.18 2.92 0.11 -1.26 -4.86 120.40 122.87 1mrf s VAL 3 Ca 0.49 0.48 -0.06 0.00 -2.93 0.00 0.00 61.98 59.96 1mrf s VAL 3 Cb -0.22 -3.61 -0.03 0.00 -1.53 0.00 0.00 36.38 30.99 1mrf s VAL 3 CO 0.29 0.38 0.02 -0.04 -3.33 0.00 0.00 175.10 172.42 1mrf s MET 4 N 0.55 3.78 -0.17 1.54 -1.94 -1.26 -1.04 119.30 120.76 1mrf s MET 4 Ca 0.15 -0.45 0.01 0.00 -1.71 0.00 0.00 55.69 53.69 1mrf s MET 4 Cb -0.13 -3.11 0.02 0.00 2.01 0.00 0.00 34.83 33.62 1mrf s MET 4 CO 0.03 0.17 -0.20 0.95 -0.01 0.00 0.00 175.02 175.96 1mrf s THR 5 N 0.62 2.05 0.15 2.05 -4.23 0.25 -4.18 115.64 112.34 1mrf s THR 5 Ca 0.01 -0.94 -0.09 0.00 -1.18 0.00 0.00 61.69 59.49 1mrf s THR 5 Cb -0.14 -1.85 -0.06 0.00 1.34 0.00 0.00 72.50 71.80 1mrf s THR 5 CO 0.02 0.54 0.45 -1.10 -0.54 0.00 0.00 174.62 173.99 1mrf s GLN 6 N 1.21 3.75 -0.04 3.99 -0.21 -1.26 -1.63 119.66 125.47 1mrf s GLN 6 Ca 0.03 0.15 -0.01 0.00 0.02 0.00 0.00 55.36 55.56 1mrf s GLN 6 Cb -0.13 -2.85 0.03 0.00 1.00 0.00 0.00 33.01 31.05 1mrf s GLN 6 CO -0.11 0.46 0.03 0.99 -2.12 0.00 0.00 175.29 174.53 1mrf s THR 7 N -1.60 0.07 0.18 -0.19 2.01 -0.58 -4.48 115.64 111.06 1mrf s THR 7 Ca 0.40 0.24 0.02 0.00 0.31 0.00 0.00 61.69 62.66 1mrf s THR 7 Cb -0.13 -0.24 0.03 0.00 0.01 0.00 0.00 72.50 72.17 1mrf s THR 7 CO 0.21 0.17 0.25 -0.81 -0.69 0.00 0.00 174.62 173.74 1mrf n PRO 8 N 4.73 0.78 0.08 4.92 -0.04 -1.26 -0.84 135.00 143.36 1mrf n PRO 8 Ca -0.15 -0.89 -0.06 0.00 -0.04 0.00 0.00 63.50 62.36 1mrf n PRO 8 Cb 0.50 -0.10 -0.05 0.00 -0.04 0.00 0.00 33.50 33.81 1mrf n PRO 8 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1mrf h LEU 9 N 0.00 0.00 -7.74 1.53 3.38 -1.84 -3.41 115.31 107.24 1mrf h LEU 9 Ca -0.08 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.57 1mrf h LEU 9 Cb 0.36 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 40.80 1mrf h LEU 9 CO 0.11 0.91 -0.75 -0.44 0.09 0.00 0.00 178.44 178.36 1mrf s SER 10 N -6.73 0.43 -0.28 -0.43 0.01 -1.26 -1.57 113.70 103.86 1mrf s SER 10 Ca 0.01 -0.05 -0.01 0.00 1.31 0.00 0.00 55.95 57.20 1mrf s SER 10 Cb 0.11 -0.14 0.09 0.00 0.21 0.00 0.00 66.02 66.28 1mrf s SER 10 CO 0.81 -0.02 0.08 -0.22 0.41 0.00 0.00 173.24 174.29 1mrf s LEU 11 N 0.44 1.99 -0.17 2.44 2.96 -0.08 -4.93 118.68 121.32 1mrf s LEU 11 Ca -0.04 -1.44 -0.29 0.00 -0.22 0.00 0.00 54.13 52.14 1mrf s LEU 11 Cb -0.07 -0.81 -0.00 0.00 0.50 0.00 0.00 46.19 45.80 1mrf s LEU 11 CO -0.01 -0.38 1.01 -2.16 -1.32 0.00 0.00 176.35 173.49 1mrf s PRO 12 N 1.67 4.33 -0.12 0.98 0.04 -1.25 -0.31 135.00 140.34 1mrf s PRO 12 Ca 0.07 1.34 -0.10 0.00 0.04 0.00 0.00 61.00 62.35 1mrf s PRO 12 Cb -0.17 -3.59 0.04 0.00 0.04 0.00 0.00 34.50 30.81 1mrf s PRO 12 CO -0.21 -0.47 0.31 0.54 0.04 0.00 0.00 177.00 177.21 1mrf s VAL 13 N 2.61 -0.01 0.72 -0.36 0.11 0.16 -4.84 120.40 118.79 1mrf s VAL 13 Ca 0.45 0.03 -0.12 0.00 -2.93 0.00 0.00 61.98 59.42 1mrf s VAL 13 Cb -0.17 -0.45 0.03 0.00 -1.53 0.00 0.00 36.38 34.26 1mrf s VAL 13 CO 0.12 0.01 1.09 -0.44 -3.33 0.00 0.00 175.10 172.54 1mrf s SER 14 N 0.46 4.90 0.59 3.54 0.01 -1.26 -0.76 113.70 121.17 1mrf s SER 14 Ca -0.02 1.82 -0.18 0.00 1.31 0.00 0.00 55.95 58.87 1mrf s SER 14 Cb -0.04 -2.52 -0.03 0.00 0.21 0.00 0.00 66.02 63.63 1mrf s SER 14 CO -0.02 -1.77 1.18 -0.76 0.41 0.00 0.00 173.24 172.28 1mrf s LEU 15 N -5.52 3.65 0.00 2.44 1.43 -1.26 -2.67 118.68 116.75 1mrf s LEU 15 Ca 0.62 2.30 0.00 0.00 -1.03 0.00 0.00 54.13 56.02 1mrf s LEU 15 Cb -0.17 -4.59 0.00 0.00 0.03 0.00 0.00 46.19 41.46 1mrf s LEU 15 CO 0.51 -1.54 0.00 0.61 0.23 0.00 0.00 176.35 176.17 1mrf n GLY 16 N 0.33 2.90 2.44 -3.19 0.00 0.18 -4.89 105.19 102.96 1mrf n GLY 16 Ca 0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 1mrf n GLY 16 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mrf n ASP 17 N 0.00 -0.02 -4.52 1.61 9.92 -1.09 -4.37 116.55 118.08 1mrf n ASP 17 Ca 0.00 -1.29 -0.32 0.00 -0.53 0.00 0.00 54.79 52.65 1mrf n ASP 17 Cb 0.00 -0.65 -0.12 0.00 -0.64 0.00 0.00 41.12 39.71 1mrf n ASP 17 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1mrf s GLN 18 N -4.84 2.38 -0.04 -1.24 -0.21 -1.26 0.39 119.66 114.84 1mrf s GLN 18 Ca 0.48 -0.80 0.04 0.00 0.02 0.00 0.00 55.36 55.10 1mrf s GLN 18 Cb -0.01 -2.37 -0.00 0.00 1.00 0.00 0.00 33.01 31.62 1mrf s GLN 18 CO 0.34 0.59 -0.17 0.00 -2.12 0.00 0.00 175.29 173.92 1mrf s ALA 19 N -0.90 1.53 -0.12 6.09 0.00 -0.08 -4.99 121.76 123.29 1mrf s ALA 19 Ca 0.15 -0.71 0.03 0.00 0.00 0.00 0.00 51.96 51.43 1mrf s ALA 19 Cb -0.11 -0.49 0.01 0.00 0.00 0.00 0.00 23.12 22.53 1mrf s ALA 19 CO 0.05 0.29 -0.20 -1.12 0.00 0.00 0.00 175.76 174.78 1mrf s SER 20 N -0.02 2.86 -0.09 0.00 0.01 -1.26 -0.95 113.70 114.26 1mrf s SER 20 Ca -0.03 -0.53 0.04 0.00 1.31 0.00 0.00 55.95 56.74 1mrf s SER 20 Cb -0.11 -1.31 -0.01 0.00 0.21 0.00 0.00 66.02 64.80 1mrf s SER 20 CO 0.02 0.08 -0.23 -0.63 0.41 0.00 0.00 173.24 172.88 1mrf s ILE 21 N 0.77 2.19 0.22 1.44 1.01 -0.23 -4.76 121.20 121.83 1mrf s ILE 21 Ca -0.10 -0.99 0.07 0.00 0.00 0.00 0.00 60.65 59.63 1mrf s ILE 21 Cb -0.16 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 1mrf s ILE 21 CO 0.00 0.56 0.12 -0.55 0.00 0.00 0.00 174.94 175.08 1mrf s SER 22 N 0.12 5.27 -0.22 3.58 0.15 -0.02 -0.77 113.70 121.80 1mrf s SER 22 Ca -0.11 -0.30 -0.10 0.00 0.70 0.00 0.00 55.95 56.14 1mrf s SER 22 Cb -0.16 -1.27 0.09 0.00 -1.71 0.00 0.00 66.02 62.96 1mrf s SER 22 CO 0.06 0.01 0.51 0.00 1.20 0.00 0.00 173.24 175.03 1mrf s ARG 24 N 2.15 1.71 0.08 0.00 0.52 -0.65 -1.28 118.95 121.49 1mrf s ARG 24 Ca -0.06 -1.20 0.09 0.00 -0.52 0.00 0.00 55.73 54.03 1mrf s ARG 24 Cb -0.10 -2.06 -0.04 0.00 0.52 0.00 0.00 34.95 33.27 1mrf s ARG 24 CO -0.15 0.48 -0.21 -1.54 0.02 0.00 0.00 175.30 173.90 1mrf s SER 25 N -2.04 3.66 0.59 0.23 1.04 -0.82 -0.58 113.70 115.78 1mrf s SER 25 Ca 0.16 -0.55 0.32 0.00 0.48 0.00 0.00 55.95 56.37 1mrf s SER 25 Cb -0.10 -0.48 1.83 0.00 0.10 0.00 0.00 66.02 67.37 1mrf s SER 25 CO 0.08 0.22 2.23 0.77 0.98 0.00 0.00 173.24 177.52 1mrf h SER 26 N 4.19 0.00 -5.11 7.02 4.64 -1.44 -3.44 113.55 119.40 1mrf h SER 26 Ca -0.49 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.75 1mrf h SER 26 Cb 1.16 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.10 1mrf h SER 26 CO 0.45 0.03 -0.29 0.00 -0.87 0.00 0.00 176.83 176.15 1mrf s GLN 27 N -4.41 0.86 0.06 4.77 -2.07 -1.26 -5.01 119.66 112.59 1mrf s GLN 27 Ca -0.04 -0.79 -0.37 0.00 -1.82 0.00 0.00 55.36 52.33 1mrf s GLN 27 Cb 0.14 0.36 -0.17 0.00 -1.09 0.00 0.00 33.01 32.25 1mrf s GLN 27 CO 0.53 -0.29 1.30 0.45 -1.32 0.00 0.00 175.29 175.96 1mrf n SER 27 N 0.12 1.34 -1.45 12.60 2.88 -1.26 -4.81 113.62 123.02 1mrf n SER 27 Ca -0.16 1.13 0.07 0.00 -1.33 0.00 0.00 58.87 58.57 1mrf n SER 27 Cb 0.62 -1.14 0.30 0.00 -0.75 0.00 0.00 64.21 63.24 1mrf n SER 27 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1mrf n LEU 27 N 2.39 4.28 -4.58 2.46 4.32 -0.33 -4.88 117.00 120.65 1mrf n LEU 27 Ca 0.19 -2.16 -0.42 0.00 -0.02 0.00 0.00 56.01 53.59 1mrf n LEU 27 Cb 0.17 -0.58 -0.05 0.00 -1.62 0.00 0.00 43.42 41.34 1mrf n LEU 27 CO 0.62 0.61 0.62 -0.69 -1.22 0.00 0.00 177.39 177.33 1mrf s VAL 27 N -2.06 4.67 0.72 4.08 1.01 -1.26 -3.64 120.40 123.91 1mrf s VAL 27 Ca 0.42 0.84 -0.13 0.00 0.00 0.00 0.00 61.98 63.10 1mrf s VAL 27 Cb 0.29 -4.27 0.03 0.00 0.00 0.00 0.00 36.38 32.43 1mrf s VAL 27 CO 0.16 -0.54 1.12 -2.28 0.00 0.00 0.00 175.10 173.56 1mrf s HIS 27 N 3.26 2.46 0.44 5.22 2.46 0.42 -4.91 115.29 124.64 1mrf s HIS 27 Ca 0.33 1.58 0.30 0.00 0.47 0.00 0.00 55.06 57.73 1mrf s HIS 27 Cb -0.12 -3.19 1.59 0.00 -0.13 0.00 0.00 32.58 30.72 1mrf s HIS 27 CO 0.19 -1.92 2.12 0.66 -2.47 0.00 0.00 174.74 173.32 1mrf h SER 27 N -0.45 0.00 0.00 9.88 4.64 -1.96 -1.70 113.55 123.97 1mrf h SER 27 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1mrf h SER 27 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1mrf h SER 27 CO 0.52 0.08 0.00 -0.46 -0.87 0.00 0.00 176.83 176.10 1mrf n ASN 28 N -3.59 0.00 0.00 4.97 0.23 -1.26 -4.90 115.26 110.72 1mrf n ASN 28 Ca -0.02 -1.26 0.00 0.00 -0.53 0.00 0.00 54.58 52.77 1mrf n ASN 28 Cb 0.20 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.90 1mrf n ASN 28 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1mrf n GLY 29 N 0.56 3.01 3.79 4.83 0.00 -0.64 -5.05 105.19 111.68 1mrf n GLY 29 Ca 0.11 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.21 1mrf n GLY 29 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mrf s ASN 30 N 0.28 5.35 -0.33 1.61 0.01 -1.26 -4.66 114.94 115.93 1mrf s ASN 30 Ca 0.00 1.88 0.03 0.00 -0.71 0.00 0.00 52.86 54.06 1mrf s ASN 30 Cb 0.00 -2.54 0.10 0.00 0.41 0.00 0.00 41.25 39.22 1mrf s ASN 30 CO 0.00 -1.47 0.05 -0.89 -1.51 0.00 0.00 177.10 173.29 1mrf s THR 31 N -2.49 2.02 -1.32 1.60 2.01 -1.26 -0.44 115.64 115.76 1mrf s THR 31 Ca 0.64 -2.15 -0.15 0.00 0.31 0.00 0.00 61.69 60.34 1mrf s THR 31 Cb -0.18 -2.49 0.09 0.00 0.01 0.00 0.00 72.50 69.94 1mrf s THR 31 CO 0.42 -0.59 1.80 -1.22 -0.69 0.00 0.00 174.62 174.34 1mrf n TYR 32 N 4.37 4.32 -4.82 4.92 4.02 -1.24 -4.17 117.16 124.55 1mrf n TYR 32 Ca 0.02 -2.97 -0.33 0.00 -0.01 0.00 0.00 57.90 54.61 1mrf n TYR 32 Cb 0.42 -2.47 -0.14 0.00 -0.02 0.00 0.00 39.34 37.13 1mrf n TYR 32 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1mrf s LEU 33 N 2.84 2.70 0.16 7.72 1.98 -1.26 -1.59 118.68 131.23 1mrf s LEU 33 Ca 0.49 -0.31 0.03 0.00 -2.89 0.00 0.00 54.13 51.45 1mrf s LEU 33 Cb 0.05 -1.59 -0.05 0.00 0.66 0.00 0.00 46.19 45.27 1mrf s LEU 33 CO 0.02 0.20 -0.03 -1.00 -1.89 0.00 0.00 176.35 173.65 1mrf s HIS 34 N 0.12 1.22 -0.05 5.38 3.76 0.36 -0.78 115.29 125.31 1mrf s HIS 34 Ca -0.06 -0.93 0.03 0.00 -0.15 0.00 0.00 55.06 53.95 1mrf s HIS 34 Cb -0.15 -0.68 0.00 0.00 1.11 0.00 0.00 32.58 32.86 1mrf s HIS 34 CO 0.05 -0.11 -0.14 -1.58 -0.85 0.00 0.00 174.74 172.10 1mrf s TRP 35 N -3.55 1.51 0.14 1.40 0.52 0.86 -0.70 118.94 119.13 1mrf s TRP 35 Ca 0.21 -0.46 0.09 0.00 0.02 0.00 0.00 56.10 55.96 1mrf s TRP 35 Cb 0.05 -1.05 -0.04 0.00 -1.15 0.00 0.00 33.47 31.29 1mrf s TRP 35 CO 0.02 -0.18 -0.21 0.71 0.02 0.00 0.00 176.95 177.31 1mrf s TYR 36 N 0.21 1.93 -0.11 -1.98 1.51 0.03 -1.10 117.35 117.85 1mrf s TYR 36 Ca -0.06 -0.42 0.04 0.00 -1.01 0.00 0.00 57.07 55.61 1mrf s TYR 36 Cb -0.12 -1.01 0.00 0.00 -0.11 0.00 0.00 41.96 40.72 1mrf s TYR 36 CO 0.02 0.30 -0.23 -1.17 -1.11 0.00 0.00 175.55 173.36 1mrf s LEU 37 N -2.25 2.05 -0.24 -1.29 2.96 -0.06 -1.32 118.68 118.53 1mrf s LEU 37 Ca 0.12 -0.55 0.02 0.00 -0.22 0.00 0.00 54.13 53.50 1mrf s LEU 37 Cb -0.08 -1.37 0.05 0.00 0.50 0.00 0.00 46.19 45.28 1mrf s LEU 37 CO 0.06 0.13 -0.12 -1.58 -1.32 0.00 0.00 176.35 173.52 1mrf s GLN 38 N 0.47 2.47 0.00 1.98 0.74 0.68 -0.77 119.66 125.23 1mrf s GLN 38 Ca -0.16 -1.20 -0.18 0.00 0.05 0.00 0.00 55.36 53.87 1mrf s GLN 38 Cb -0.17 -2.85 -0.06 0.00 1.10 0.00 0.00 33.01 31.03 1mrf s GLN 38 CO 0.06 -0.48 0.52 0.15 -0.55 0.00 0.00 175.29 175.00 1mrf s LYS 39 N 1.17 4.19 -0.27 1.67 1.02 -1.26 -1.20 119.74 125.06 1mrf s LYS 39 Ca -0.05 0.61 -0.43 0.00 0.02 0.00 0.00 55.97 56.12 1mrf s LYS 39 Cb -0.18 -3.30 -0.19 0.00 -0.52 0.00 0.00 37.83 33.64 1mrf s LYS 39 CO -0.06 0.49 1.40 -0.35 -0.92 0.00 0.00 175.35 175.91 1mrf n PRO 40 N 2.36 0.16 -1.01 -1.68 -0.04 -1.26 -0.90 135.00 132.64 1mrf n PRO 40 Ca -0.10 0.06 -0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1mrf n PRO 40 Cb 0.51 -1.58 -0.00 0.00 -0.04 0.00 0.00 33.50 32.39 1mrf n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1mrf n GLY 41 N 3.03 0.46 3.23 0.55 0.00 -1.26 -5.03 105.19 106.16 1mrf n GLY 41 Ca 0.26 -0.52 -0.15 0.00 0.00 0.00 0.00 46.02 45.61 1mrf n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mrf s GLN 42 N -1.02 1.01 0.59 1.61 -0.21 -0.07 -5.14 119.66 116.42 1mrf s GLN 42 Ca 0.00 -1.36 -0.15 0.00 0.02 0.00 0.00 55.36 53.86 1mrf s GLN 42 Cb 0.00 -0.65 -0.04 0.00 1.00 0.00 0.00 33.01 33.32 1mrf s GLN 42 CO 0.00 0.09 1.05 -1.54 -2.12 0.00 0.00 175.29 172.77 1mrf s SER 43 N -2.92 5.90 0.62 5.90 1.04 -1.26 -4.58 113.70 118.40 1mrf s SER 43 Ca 0.13 1.76 -0.19 0.00 0.48 0.00 0.00 55.95 58.13 1mrf s SER 43 Cb 0.00 -2.53 -0.02 0.00 0.10 0.00 0.00 66.02 63.58 1mrf s SER 43 CO 0.01 -1.09 1.27 -2.84 0.98 0.00 0.00 173.24 171.57 1mrf s PRO 44 N -4.16 2.75 -0.04 4.02 0.02 -1.26 -4.61 135.00 131.72 1mrf s PRO 44 Ca 0.62 1.98 0.05 0.00 0.02 0.00 0.00 61.00 63.67 1mrf s PRO 44 Cb -0.15 -1.90 -0.01 0.00 0.02 0.00 0.00 34.50 32.47 1mrf s PRO 44 CO 0.37 -1.42 -0.18 0.15 -0.33 0.00 0.00 177.00 175.59 1mrf s LYS 45 N -3.33 1.71 0.22 5.54 -0.14 0.05 -4.93 119.74 118.85 1mrf s LYS 45 Ca 0.80 -0.62 -0.30 0.00 -1.36 0.00 0.00 55.97 54.49 1mrf s LYS 45 Cb -0.35 -1.53 -0.08 0.00 -1.68 0.00 0.00 37.83 34.19 1mrf s LYS 45 CO 0.38 0.29 1.14 -1.17 -0.76 0.00 0.00 175.35 175.22 1mrf s LEU 46 N -0.09 4.49 -0.05 3.17 2.96 -1.26 -0.88 118.68 127.02 1mrf s LEU 46 Ca -0.01 2.22 -0.09 0.00 -0.22 0.00 0.00 54.13 56.03 1mrf s LEU 46 Cb -0.10 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 42.94 1mrf s LEU 46 CO 0.01 -0.26 -0.17 0.18 -1.32 0.00 0.00 176.35 174.79 1mrf n LEU 47 N 2.00 1.43 -4.04 -0.68 4.32 -0.26 -4.71 117.00 115.07 1mrf n LEU 47 Ca 0.02 0.22 -0.26 0.00 -0.02 0.00 0.00 56.01 55.97 1mrf n LEU 47 Cb 0.45 -0.53 -0.17 0.00 -1.62 0.00 0.00 43.42 41.55 1mrf n LEU 47 CO 0.55 -0.49 -0.48 -0.63 -1.22 0.00 0.00 177.39 175.12 1mrf s ILE 48 N -2.37 1.26 0.12 -0.08 1.01 -1.16 -0.88 121.20 119.10 1mrf s ILE 48 Ca -0.14 -0.54 0.09 0.00 0.00 0.00 0.00 60.65 60.06 1mrf s ILE 48 Cb 0.02 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.30 1mrf s ILE 48 CO 0.21 0.39 -0.20 -0.72 0.00 0.00 0.00 174.94 174.62 1mrf s TYR 49 N 0.74 2.47 -1.22 3.97 1.13 -0.25 -0.10 117.35 124.10 1mrf s TYR 49 Ca -0.13 -0.29 -0.13 0.00 -1.41 0.00 0.00 57.07 55.11 1mrf s TYR 49 Cb -0.16 -1.32 -0.01 0.00 -1.10 0.00 0.00 41.96 39.37 1mrf s TYR 49 CO 0.03 0.37 0.69 1.63 -2.51 0.00 0.00 175.55 175.76 1mrf n LYS 50 N 0.86 -2.23 0.00 -3.49 5.02 -0.41 -2.34 118.16 115.56 1mrf n LYS 50 Ca -0.16 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 1mrf n LYS 50 Cb 0.53 -4.40 0.00 0.00 -0.02 0.00 0.00 35.03 31.14 1mrf n LYS 50 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1mrf n VAL 51 N -4.23 0.00 -1.28 -0.18 0.31 0.04 -4.03 118.33 108.96 1mrf n VAL 51 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1mrf n VAL 51 Cb 0.63 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.56 1mrf n VAL 51 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1mrf n SER 52 N 1.07 0.00 -4.83 4.52 3.41 -1.23 -3.49 113.62 113.07 1mrf n SER 52 Ca 0.00 -1.02 -0.38 0.00 -0.26 0.00 0.00 58.87 57.21 1mrf n SER 52 Cb 0.00 -0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1mrf n SER 52 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1mrf s ASN 53 N -0.02 6.69 0.04 4.04 0.01 -0.99 -4.64 114.94 120.07 1mrf s ASN 53 Ca 0.00 0.82 -0.13 0.00 -0.71 0.00 0.00 52.86 52.84 1mrf s ASN 53 Cb 0.00 -2.21 -0.06 0.00 0.41 0.00 0.00 41.25 39.39 1mrf s ASN 53 CO 0.00 0.30 0.42 -0.13 -1.51 0.00 0.00 177.10 176.18 1mrf s ARG 54 N -0.82 3.87 0.93 -0.60 0.52 -1.26 -1.09 118.95 120.50 1mrf s ARG 54 Ca 0.22 0.34 -0.12 0.00 -0.52 0.00 0.00 55.73 55.64 1mrf s ARG 54 Cb -0.15 -3.12 0.15 0.00 0.52 0.00 0.00 34.95 32.35 1mrf s ARG 54 CO 0.11 0.63 1.10 0.12 0.02 0.00 0.00 175.30 177.27 1mrf s PHE 55 N -1.22 2.28 0.14 -0.53 5.36 -0.06 -4.92 117.98 119.03 1mrf s PHE 55 Ca 0.28 1.10 -0.34 0.00 -0.96 0.00 0.00 56.93 57.01 1mrf s PHE 55 Cb -0.16 -3.22 -0.13 0.00 -0.34 0.00 0.00 43.02 39.17 1mrf s PHE 55 CO 0.15 -2.56 1.63 0.43 -1.46 0.00 0.00 175.22 173.41 1mrf n SER 56 N -3.96 3.25 0.00 6.13 7.64 -1.26 -2.40 113.62 123.02 1mrf n SER 56 Ca 0.06 1.07 0.00 0.00 1.01 0.00 0.00 58.87 61.01 1mrf n SER 56 Cb 0.56 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 1mrf n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mrf n GLY 57 N 3.58 2.79 3.71 0.23 0.00 -1.26 -5.01 105.19 109.24 1mrf n GLY 57 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1mrf n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mrf s VAL 58 N -2.20 3.70 0.69 1.61 1.01 -1.01 -5.00 120.40 119.20 1mrf s VAL 58 Ca 0.00 1.21 -0.12 0.00 0.00 0.00 0.00 61.98 63.08 1mrf s VAL 58 Cb 0.00 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1mrf s VAL 58 CO 0.00 0.09 1.06 -2.16 0.00 0.00 0.00 175.10 174.09 1mrf s PRO 59 N 1.15 2.94 0.00 2.72 0.04 -1.26 -4.86 135.00 135.73 1mrf s PRO 59 Ca 0.61 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.67 1mrf s PRO 59 Cb -0.33 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.22 1mrf s PRO 59 CO 0.29 -1.10 0.66 -0.40 0.04 0.00 0.00 177.00 176.49 1mrf n ASP 60 N -2.99 0.51 0.15 6.66 5.75 -1.26 -2.67 116.55 122.70 1mrf n ASP 60 Ca 0.08 -1.83 0.02 0.00 -0.01 0.00 0.00 54.79 53.06 1mrf n ASP 60 Cb 0.53 -0.26 0.19 0.00 -1.03 0.00 0.00 41.12 40.56 1mrf n ASP 60 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1mrf h ARG 61 N 0.05 0.00 -5.69 0.11 3.08 -1.93 -3.42 114.38 106.58 1mrf h ARG 61 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 1mrf h ARG 61 Cb 0.26 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.22 1mrf h ARG 61 CO 0.00 0.52 0.00 -0.06 -1.07 0.00 0.00 179.97 179.36 1mrf s PHE 62 N -3.36 3.43 0.03 3.04 0.08 -1.09 -0.62 117.98 119.50 1mrf s PHE 62 Ca 0.01 0.91 -0.01 0.00 0.12 0.00 0.00 56.93 57.96 1mrf s PHE 62 Cb 0.10 -2.70 -0.02 0.00 -0.57 0.00 0.00 43.02 39.83 1mrf s PHE 62 CO 0.73 -0.03 -0.00 -1.54 -0.10 0.00 0.00 175.22 174.27 1mrf s SER 63 N 0.99 0.28 0.13 1.36 1.04 -0.53 -4.96 113.70 112.00 1mrf s SER 63 Ca 0.28 -0.61 0.11 0.00 0.48 0.00 0.00 55.95 56.21 1mrf s SER 63 Cb -0.16 0.15 -0.04 0.00 0.10 0.00 0.00 66.02 66.07 1mrf s SER 63 CO 0.11 -0.41 -0.26 -0.83 0.98 0.00 0.00 173.24 172.83 1mrf s GLY 64 N -1.90 1.54 0.30 7.32 0.00 -1.25 -0.85 107.32 112.49 1mrf s GLY 64 Ca -0.09 -1.44 -0.08 0.00 0.00 0.00 0.00 44.72 43.11 1mrf s GLY 64 CO -0.03 -1.42 0.48 -1.35 0.00 0.00 0.00 173.10 170.78 1mrf s SER 65 N -2.03 0.38 0.00 1.64 1.04 0.03 -4.41 113.70 110.36 1mrf s SER 65 Ca 0.13 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.34 1mrf s SER 65 Cb -0.10 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1mrf s SER 65 CO 0.06 -1.24 0.00 0.61 0.98 0.00 0.00 173.24 173.64 1mrf n GLY 66 N -0.47 0.69 3.57 7.32 0.00 -1.26 -1.13 105.19 113.90 1mrf n GLY 66 Ca -0.01 -2.32 -0.07 0.00 0.00 0.00 0.00 46.02 43.62 1mrf n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1mrf s SER 67 N -0.12 -0.24 0.00 1.61 0.15 0.10 -4.95 113.70 110.26 1mrf s SER 67 Ca 0.00 0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.74 1mrf s SER 67 Cb 0.00 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 1mrf s SER 67 CO 0.00 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.70 1mrf n GLY 68 N 0.09 0.29 0.00 9.45 0.00 -1.26 -1.34 105.19 112.42 1mrf n GLY 68 Ca -0.04 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.70 1mrf n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1mrf n THR 69 N 0.00 0.00 -4.70 2.61 -2.24 -1.26 -1.19 114.28 107.50 1mrf n THR 69 Ca 0.00 -0.26 -0.33 0.00 -2.27 0.00 0.00 64.05 61.19 1mrf n THR 69 Cb 0.00 1.10 -0.14 0.00 -2.10 0.00 0.00 70.33 69.19 1mrf n THR 69 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1mrf s ASP 70 N -0.42 4.20 -0.01 3.42 -1.08 -0.45 -1.95 116.67 120.39 1mrf s ASP 70 Ca 0.00 -0.27 -0.05 0.00 -0.52 0.00 0.00 52.55 51.71 1mrf s ASP 70 Cb 0.00 -1.60 0.00 0.00 -1.46 0.00 0.00 42.92 39.87 1mrf s ASP 70 CO 0.00 0.18 0.10 -0.36 0.52 0.00 0.00 175.17 175.62 1mrf s PHE 71 N 0.26 0.02 -0.03 -5.34 0.08 -0.40 0.02 117.98 112.58 1mrf s PHE 71 Ca -0.08 -0.05 0.03 0.00 0.12 0.00 0.00 56.93 56.95 1mrf s PHE 71 Cb -0.15 -0.04 -0.00 0.00 -0.57 0.00 0.00 43.02 42.26 1mrf s PHE 71 CO 0.05 -0.20 -0.12 0.99 -0.10 0.00 0.00 175.22 175.84 1mrf s THR 72 N -0.93 1.03 -0.18 0.64 2.01 -0.29 -0.85 115.64 117.08 1mrf s THR 72 Ca -0.10 -0.50 -0.04 0.00 0.31 0.00 0.00 61.69 61.36 1mrf s THR 72 Cb -0.06 -0.90 -0.02 0.00 0.01 0.00 0.00 72.50 71.53 1mrf s THR 72 CO 0.01 0.31 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.99 1mrf s LEU 73 N 0.10 3.12 -0.09 4.42 2.96 0.05 -0.79 118.68 128.45 1mrf s LEU 73 Ca -0.03 -0.23 0.04 0.00 -0.22 0.00 0.00 54.13 53.70 1mrf s LEU 73 Cb -0.09 -1.77 -0.01 0.00 0.50 0.00 0.00 46.19 44.82 1mrf s LEU 73 CO 0.01 0.10 -0.21 -0.54 -1.32 0.00 0.00 176.35 174.39 1mrf s LYS 74 N 0.77 2.93 -0.33 1.98 1.02 -0.03 -1.07 119.74 125.01 1mrf s LYS 74 Ca -0.01 -0.83 -0.03 0.00 0.02 0.00 0.00 55.97 55.12 1mrf s LYS 74 Cb -0.15 -2.33 0.06 0.00 -0.52 0.00 0.00 37.83 34.89 1mrf s LYS 74 CO 0.02 0.28 0.06 0.42 -0.92 0.00 0.00 175.35 175.21 1mrf s ILE 75 N 0.11 3.16 0.32 2.17 1.01 -0.13 -1.45 121.20 126.40 1mrf s ILE 75 Ca -0.10 -1.51 0.02 0.00 0.00 0.00 0.00 60.65 59.06 1mrf s ILE 75 Cb -0.16 -2.90 0.18 0.00 0.01 0.00 0.00 42.46 39.59 1mrf s ILE 75 CO 0.06 -0.26 1.89 0.77 0.00 0.00 0.00 174.94 177.40 1mrf h SER 76 N 8.04 0.61 -1.91 3.58 4.64 -1.15 -0.19 113.55 127.17 1mrf h SER 76 Ca -0.19 -0.09 -0.31 0.00 -0.47 0.00 0.00 61.79 60.73 1mrf h SER 76 Cb 1.06 -0.16 -0.31 0.00 -0.31 0.00 0.00 62.40 62.69 1mrf h SER 76 CO 0.58 0.61 -0.63 0.00 -0.87 0.00 0.00 176.83 176.52 1mrf s ARG 77 N -5.17 0.51 0.16 4.77 1.70 -1.21 -4.05 118.95 115.67 1mrf s ARG 77 Ca -0.09 -0.43 -0.34 0.00 -0.47 0.00 0.00 55.73 54.40 1mrf s ARG 77 Cb 0.16 -0.58 -0.14 0.00 -0.57 0.00 0.00 34.95 33.82 1mrf s ARG 77 CO 0.77 -1.12 1.57 0.28 -1.08 0.00 0.00 175.30 175.72 1mrf n VAL 78 N 4.77 0.04 -4.65 4.99 0.31 0.16 -4.65 118.33 119.31 1mrf n VAL 78 Ca 0.05 -0.01 -0.28 0.00 -0.01 0.00 0.00 64.34 64.09 1mrf n VAL 78 Cb 0.47 -1.53 -0.14 0.00 -0.91 0.00 0.00 33.84 31.73 1mrf n VAL 78 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1mrf s GLU 79 N 0.84 1.54 0.32 5.55 2.02 -1.26 0.52 118.70 128.23 1mrf s GLU 79 Ca 0.78 -1.15 0.12 0.00 0.02 0.00 0.00 54.97 54.74 1mrf s GLU 79 Cb -0.68 -1.81 1.03 0.00 0.10 0.00 0.00 34.13 32.77 1mrf s GLU 79 CO 0.38 0.45 1.46 0.00 0.02 0.00 0.00 175.26 177.57 1mrf n ALA 80 N 1.47 0.76 1.30 5.21 0.00 -1.26 0.02 120.51 128.02 1mrf n ALA 80 Ca -0.18 0.96 0.05 0.00 0.00 0.00 0.00 53.44 54.28 1mrf n ALA 80 Cb 0.53 -0.86 0.29 0.00 0.00 0.00 0.00 19.45 19.41 1mrf n ALA 80 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1mrf n GLU 81 N -5.20 0.65 0.02 0.00 4.71 -1.26 -3.19 120.64 116.37 1mrf n GLU 81 Ca 0.30 0.00 0.12 0.00 -0.01 0.00 0.00 57.16 57.57 1mrf n GLU 81 Cb 1.00 -1.23 0.25 0.00 -1.01 0.00 0.00 31.44 30.45 1mrf n GLU 81 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1mrf n ASP 82 N -0.73 0.53 -4.74 1.62 8.00 0.10 -4.93 116.55 116.40 1mrf n ASP 82 Ca 0.07 -0.05 -0.38 0.00 0.71 0.00 0.00 54.79 55.15 1mrf n ASP 82 Cb 0.03 0.15 0.05 0.00 -0.02 0.00 0.00 41.12 41.33 1mrf n ASP 82 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1mrf s LEU 83 N -3.44 3.77 0.00 0.64 2.34 -1.19 -4.86 118.68 115.93 1mrf s LEU 83 Ca 0.10 2.74 0.00 0.00 0.06 0.00 0.00 54.13 57.02 1mrf s LEU 83 Cb 0.16 -4.37 0.00 0.00 -0.56 0.00 0.00 46.19 41.42 1mrf s LEU 83 CO 0.69 -1.71 0.00 0.61 -1.06 0.00 0.00 176.35 174.89 1mrf n GLY 84 N 0.78 0.20 3.32 -3.48 0.00 -1.25 -4.80 105.19 99.94 1mrf n GLY 84 Ca 0.12 -1.55 -0.32 0.00 0.00 0.00 0.00 46.02 44.27 1mrf n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mrf s VAL 85 N -2.84 2.43 -0.16 1.61 1.01 -0.34 -1.36 120.40 120.74 1mrf s VAL 85 Ca 0.00 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 61.00 1mrf s VAL 85 Cb 0.00 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 1mrf s VAL 85 CO 0.00 0.56 0.06 -0.31 0.00 0.00 0.00 175.10 175.42 1mrf s TYR 86 N -0.07 3.28 -0.02 5.22 1.51 0.56 -0.23 117.35 127.61 1mrf s TYR 86 Ca -0.05 0.14 0.07 0.00 -1.01 0.00 0.00 57.07 56.23 1mrf s TYR 86 Cb -0.14 -2.03 -0.02 0.00 -0.11 0.00 0.00 41.96 39.66 1mrf s TYR 86 CO 0.04 0.26 -0.25 -0.06 -1.11 0.00 0.00 175.55 174.44 1mrf s PHE 87 N 0.04 2.22 0.03 2.71 0.08 -0.44 -1.61 117.98 121.01 1mrf s PHE 87 Ca 0.06 -0.44 0.01 0.00 0.12 0.00 0.00 56.93 56.68 1mrf s PHE 87 Cb -0.12 -1.43 -0.04 0.00 -0.57 0.00 0.00 43.02 40.86 1mrf s PHE 87 CO 0.01 -0.05 0.09 0.00 -0.10 0.00 0.00 175.22 175.16 1mrf s SER 89 N -1.99 0.01 0.10 0.00 0.15 0.13 -0.21 113.70 111.89 1mrf s SER 89 Ca 0.26 -0.09 0.09 0.00 0.70 0.00 0.00 55.95 56.91 1mrf s SER 89 Cb -0.12 0.19 -0.03 0.00 -1.71 0.00 0.00 66.02 64.35 1mrf s SER 89 CO 0.17 -0.22 -0.23 0.00 1.20 0.00 0.00 173.24 174.17 1mrf s GLN 90 N -0.80 1.24 -0.02 5.44 1.03 -0.63 -0.48 119.66 125.45 1mrf s GLN 90 Ca -0.09 -1.18 0.23 0.00 0.04 0.00 0.00 55.36 54.37 1mrf s GLN 90 Cb -0.05 -1.55 0.41 0.00 0.03 0.00 0.00 33.01 31.85 1mrf s GLN 90 CO 0.00 0.37 1.17 -1.13 -2.54 0.00 0.00 175.29 173.16 1mrf n SER 91 N 1.16 1.02 0.05 12.60 3.41 -0.62 -2.45 113.62 128.78 1mrf n SER 91 Ca -0.19 -2.16 -0.20 0.00 -0.26 0.00 0.00 58.87 56.06 1mrf n SER 91 Cb 0.53 -0.31 -0.14 0.00 -0.26 0.00 0.00 64.21 64.03 1mrf n SER 91 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1mrf h THR 92 N 6.46 1.48 -2.35 6.66 2.02 -1.88 -3.46 112.91 121.85 1mrf h THR 92 Ca -0.20 -2.45 -0.52 0.00 0.77 0.00 0.00 66.41 64.01 1mrf h THR 92 Cb 1.80 3.07 -0.05 0.00 -1.74 0.00 0.00 68.15 71.22 1mrf h THR 92 CO 0.09 0.70 -0.53 -1.00 0.37 0.00 0.00 175.52 175.14 1mrf s HIS 93 N -2.61 3.14 -0.11 3.16 3.76 -1.26 -4.94 115.29 116.43 1mrf s HIS 93 Ca -0.13 -0.08 -0.01 0.00 -0.15 0.00 0.00 55.06 54.69 1mrf s HIS 93 Cb 0.02 -1.44 -0.03 0.00 1.11 0.00 0.00 32.58 32.23 1mrf s HIS 93 CO 0.84 0.52 -0.05 0.08 -0.85 0.00 0.00 174.74 175.27 1mrf s VAL 94 N -2.01 3.82 0.64 -0.90 1.01 -1.26 -3.76 120.40 117.93 1mrf s VAL 94 Ca 0.32 -0.41 -0.11 0.00 0.00 0.00 0.00 61.98 61.78 1mrf s VAL 94 Cb -0.09 -2.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 1mrf s VAL 94 CO 0.25 0.55 1.04 -2.16 0.00 0.00 0.00 175.10 174.78 1mrf s PRO 95 N -0.26 3.44 0.64 2.72 0.04 -1.26 -4.80 135.00 135.52 1mrf s PRO 95 Ca 0.04 0.78 -0.18 0.00 0.04 0.00 0.00 61.00 61.68 1mrf s PRO 95 Cb -0.13 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 1mrf s PRO 95 CO 0.02 -0.69 1.22 -2.13 0.04 0.00 0.00 177.00 175.46 1mrf n ARG 96 N -2.84 1.06 -4.04 4.56 0.63 -1.25 -4.77 116.66 110.02 1mrf n ARG 96 Ca 0.06 0.42 -0.08 0.00 -0.92 0.00 0.00 57.85 57.33 1mrf n ARG 96 Cb 0.54 -2.45 -0.10 0.00 0.45 0.00 0.00 32.46 30.90 1mrf n ARG 96 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1mrf s THR 97 N -1.41 0.18 0.14 5.15 2.01 -1.02 -5.01 115.64 115.67 1mrf s THR 97 Ca 0.81 -1.50 0.05 0.00 0.31 0.00 0.00 61.69 61.37 1mrf s THR 97 Cb -0.39 -1.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.93 1mrf s THR 97 CO 0.42 -0.83 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.04 1mrf s PHE 98 N -3.19 1.34 0.84 4.92 0.40 -1.26 -1.60 117.98 119.43 1mrf s PHE 98 Ca 0.00 -0.66 -0.11 0.00 -0.60 0.00 0.00 56.93 55.56 1mrf s PHE 98 Cb 0.03 -0.68 0.13 0.00 0.51 0.00 0.00 43.02 43.01 1mrf s PHE 98 CO -0.07 0.13 1.18 0.20 0.70 0.00 0.00 175.22 177.36 1mrf s GLY 99 N -2.90 1.72 0.42 4.36 0.00 0.71 -4.55 107.32 107.08 1mrf s GLY 99 Ca 0.14 -1.09 0.22 0.00 0.00 0.00 0.00 44.72 43.99 1mrf s GLY 99 CO 0.02 -0.49 1.80 -1.33 0.00 0.00 0.00 173.10 173.10 1mrf h GLY 100 N -1.14 0.00 0.00 0.20 0.00 -1.89 -3.45 103.07 96.79 1mrf h GLY 100 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1mrf h GLY 100 CO 0.49 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.64 1mrf n GLY 101 N 0.13 2.32 2.85 4.60 0.00 -1.26 -5.05 105.19 108.78 1mrf n GLY 101 Ca -0.00 -1.75 -0.20 0.00 0.00 0.00 0.00 46.02 44.06 1mrf n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mrf s THR 102 N -2.08 0.45 -0.28 2.61 2.01 -0.63 -4.69 115.64 113.03 1mrf s THR 102 Ca 0.00 -0.03 -0.15 0.00 0.31 0.00 0.00 61.69 61.82 1mrf s THR 102 Cb 0.00 -0.52 -0.03 0.00 0.01 0.00 0.00 72.50 71.96 1mrf s THR 102 CO 0.00 0.22 0.38 -0.75 -0.69 0.00 0.00 174.62 173.78 1mrf s LYS 103 N 1.20 3.96 -0.09 4.92 2.20 -0.61 -0.32 119.74 131.00 1mrf s LYS 103 Ca -0.07 -0.01 -0.28 0.00 -0.36 0.00 0.00 55.97 55.25 1mrf s LYS 103 Cb -0.14 -3.68 -0.02 0.00 -1.51 0.00 0.00 37.83 32.49 1mrf s LYS 103 CO -0.02 -0.31 0.95 -1.17 -0.36 0.00 0.00 175.35 174.44 1mrf s LEU 104 N 2.08 4.26 -0.11 5.43 2.96 -0.46 -0.90 118.68 131.94 1mrf s LEU 104 Ca 0.15 1.47 0.02 0.00 -0.22 0.00 0.00 54.13 55.56 1mrf s LEU 104 Cb -0.16 -3.47 -0.01 0.00 0.50 0.00 0.00 46.19 43.05 1mrf s LEU 104 CO 0.10 -0.38 -0.19 -1.61 -1.32 0.00 0.00 176.35 172.95 1mrf s GLU 105 N 1.76 3.15 -0.13 1.98 2.02 0.58 -3.88 118.70 124.18 1mrf s GLU 105 Ca 0.47 -0.80 -0.22 0.00 0.02 0.00 0.00 54.97 54.44 1mrf s GLU 105 Cb -0.18 -2.43 -0.03 0.00 0.10 0.00 0.00 34.13 31.58 1mrf s GLU 105 CO 0.19 0.22 0.67 0.42 0.02 0.00 0.00 175.26 176.77 1mrf s ILE 106 N 0.29 5.03 -0.01 -1.63 -1.09 -1.26 0.36 121.20 122.89 1mrf s ILE 106 Ca -0.14 1.32 -0.23 0.00 -2.23 0.00 0.00 60.65 59.37 1mrf s ILE 106 Cb -0.17 -3.99 -0.05 0.00 -1.58 0.00 0.00 42.46 36.67 1mrf s ILE 106 CO 0.07 0.18 0.68 -0.54 -1.23 0.00 0.00 174.94 174.10 1mrf s LYS 107 N 1.32 4.41 0.27 2.79 1.02 0.06 -4.78 119.74 124.83 1mrf s LYS 107 Ca 0.33 0.87 0.02 0.00 0.02 0.00 0.00 55.97 57.21 1mrf s LYS 107 Cb -0.17 -3.38 -0.01 0.00 -0.52 0.00 0.00 37.83 33.76 1mrf s LYS 107 CO 0.14 0.25 0.33 2.89 -0.92 0.00 0.00 175.35 178.03 1mrf n ARG 108 N 3.08 0.47 -2.66 1.68 -4.01 -1.26 -4.05 116.66 109.90 1mrf n ARG 108 Ca -0.04 -2.41 -0.34 0.00 -1.04 0.00 0.00 57.85 54.02 1mrf n ARG 108 Cb 0.51 2.17 -0.05 0.00 -3.04 0.00 0.00 32.46 32.05 1mrf n ARG 108 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1mrf s ALA 109 N -2.76 2.96 0.50 2.89 0.00 -1.26 -4.99 121.76 119.11 1mrf s ALA 109 Ca 0.27 0.53 -0.23 0.00 0.00 0.00 0.00 51.96 52.53 1mrf s ALA 109 Cb 0.00 -3.21 -0.07 0.00 0.00 0.00 0.00 23.12 19.84 1mrf s ALA 109 CO 0.19 -0.12 1.31 -0.25 0.00 0.00 0.00 175.76 176.89 1mrf n ASP 110 N -0.71 2.55 -3.73 0.00 8.00 -1.26 -4.80 116.55 116.59 1mrf n ASP 110 Ca 0.08 1.02 -0.14 0.00 0.71 0.00 0.00 54.79 56.46 1mrf n ASP 110 Cb 0.53 -1.54 -0.14 0.00 -0.02 0.00 0.00 41.12 39.94 1mrf n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mrf s ALA 111 N -1.27 -0.28 0.40 2.24 0.00 -0.58 -4.92 121.76 117.34 1mrf s ALA 111 Ca 0.68 0.70 -0.23 0.00 0.00 0.00 0.00 51.96 53.11 1mrf s ALA 111 Cb -0.45 -0.53 -0.10 0.00 0.00 0.00 0.00 23.12 22.04 1mrf s ALA 111 CO 0.53 -0.22 0.97 0.00 0.00 0.00 0.00 175.76 177.03 1mrf s ALA 112 N 1.34 3.08 0.35 0.00 0.00 -1.26 -1.45 121.76 123.82 1mrf s ALA 112 Ca -0.07 0.48 -0.26 0.00 0.00 0.00 0.00 51.96 52.11 1mrf s ALA 112 Cb -0.12 -3.18 -0.09 0.00 0.00 0.00 0.00 23.12 19.73 1mrf s ALA 112 CO -0.06 0.07 1.06 -1.25 0.00 0.00 0.00 175.76 175.57 1mrf s PRO 113 N -2.80 4.36 -0.37 0.00 0.04 -1.26 -4.57 135.00 130.39 1mrf s PRO 113 Ca 0.59 1.59 -0.14 0.00 0.04 0.00 0.00 61.00 63.08 1mrf s PRO 113 Cb -0.14 -2.79 0.00 0.00 0.04 0.00 0.00 34.50 31.62 1mrf s PRO 113 CO 0.18 0.02 0.30 -0.08 0.04 0.00 0.00 177.00 177.46 1mrf s THR 114 N -1.48 5.24 -0.05 1.26 -1.32 0.36 -4.85 115.64 114.80 1mrf s THR 114 Ca 0.53 -0.33 -0.16 0.00 -1.21 0.00 0.00 61.69 60.52 1mrf s THR 114 Cb -0.25 -3.84 -0.05 0.00 -1.51 0.00 0.00 72.50 66.85 1mrf s THR 114 CO 0.32 -0.17 0.41 -0.69 -2.21 0.00 0.00 174.62 172.28 1mrf s VAL 115 N 1.80 5.09 -0.04 5.08 1.01 -1.26 -1.01 120.40 131.08 1mrf s VAL 115 Ca 0.07 0.84 0.02 0.00 0.00 0.00 0.00 61.98 62.91 1mrf s VAL 115 Cb -0.18 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.48 1mrf s VAL 115 CO 0.11 0.50 -0.08 -0.44 0.00 0.00 0.00 175.10 175.18 1mrf s SER 116 N -0.48 1.21 0.04 3.32 0.01 -0.42 -4.99 113.70 112.39 1mrf s SER 116 Ca 0.24 -0.19 0.06 0.00 1.31 0.00 0.00 55.95 57.37 1mrf s SER 116 Cb -0.16 -0.45 -0.03 0.00 0.21 0.00 0.00 66.02 65.59 1mrf s SER 116 CO 0.12 0.02 -0.16 -0.51 0.41 0.00 0.00 173.24 173.13 1mrf s ILE 117 N 0.48 2.98 -0.01 1.44 2.07 -1.26 -1.17 121.20 125.73 1mrf s ILE 117 Ca -0.08 -1.11 0.02 0.00 -1.41 0.00 0.00 60.65 58.07 1mrf s ILE 117 Cb -0.12 -2.27 0.00 0.00 0.13 0.00 0.00 42.46 40.21 1mrf s ILE 117 CO 0.01 0.34 -0.05 -0.36 -1.91 0.00 0.00 174.94 172.97 1mrf s PHE 118 N -0.95 0.53 0.52 3.50 0.08 -0.29 -5.01 117.98 116.35 1mrf s PHE 118 Ca 0.15 -0.10 -0.05 0.00 0.12 0.00 0.00 56.93 57.05 1mrf s PHE 118 Cb -0.11 -0.38 -0.02 0.00 -0.57 0.00 0.00 43.02 41.94 1mrf s PHE 118 CO 0.06 -0.04 0.82 -2.14 -0.10 0.00 0.00 175.22 173.82 1mrf s PRO 119 N 0.09 3.32 0.42 0.24 0.02 -1.26 -2.73 135.00 135.10 1mrf s PRO 119 Ca -0.01 0.11 -0.26 0.00 0.02 0.00 0.00 61.00 60.86 1mrf s PRO 119 Cb -0.05 -2.35 -0.10 0.00 0.02 0.00 0.00 34.50 32.03 1mrf s PRO 119 CO -0.00 -0.37 1.45 -2.30 -0.33 0.00 0.00 177.00 175.45 1mrf n PRO 120 N -2.36 2.43 -1.92 5.54 -0.02 -1.23 -4.87 135.00 132.58 1mrf n PRO 120 Ca 0.02 0.86 -0.32 0.00 -2.02 0.00 0.00 63.50 62.03 1mrf n PRO 120 Cb 0.56 -2.64 0.02 0.00 -0.02 0.00 0.00 33.50 31.42 1mrf n PRO 120 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1mrf s SER 121 N -0.33 5.64 0.36 2.55 1.04 -1.26 -4.87 113.70 116.83 1mrf s SER 121 Ca 0.58 1.78 0.04 0.00 0.48 0.00 0.00 55.95 58.83 1mrf s SER 121 Cb -0.46 -2.53 0.70 0.00 0.10 0.00 0.00 66.02 63.83 1mrf s SER 121 CO 0.60 -1.27 2.01 0.77 0.98 0.00 0.00 173.24 176.33 1mrf h SER 122 N 0.14 0.67 -0.98 7.02 4.64 -1.99 -0.91 113.55 122.15 1mrf h SER 122 Ca -0.46 -0.01 0.06 0.00 -0.47 0.00 0.00 61.79 60.90 1mrf h SER 122 Cb 1.22 -0.16 -0.06 0.00 -0.31 0.00 0.00 62.40 63.08 1mrf h SER 122 CO 0.57 0.48 0.63 -0.33 -0.87 0.00 0.00 176.83 177.31 1mrf h GLU 123 N 0.79 1.14 0.12 4.77 5.08 -1.99 0.18 114.58 124.67 1mrf h GLU 123 Ca 0.24 -0.07 -0.28 0.00 -1.00 0.00 0.00 59.36 58.25 1mrf h GLU 123 Cb -0.00 -0.26 0.01 0.00 0.50 0.00 0.00 28.75 29.00 1mrf h GLU 123 CO -0.06 0.75 -1.22 0.37 -1.00 0.00 0.00 179.01 177.86 1mrf h GLN 124 N 1.17 0.39 -0.29 2.33 4.15 -1.62 -3.22 115.11 118.02 1mrf h GLN 124 Ca 0.41 -0.58 0.02 0.00 0.77 0.00 0.00 58.65 59.27 1mrf h GLN 124 Cb 0.12 0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.99 1mrf h GLN 124 CO -0.16 1.25 0.15 -0.07 -1.93 0.00 0.00 178.83 178.07 1mrf h LEU 125 N 0.14 0.22 -1.96 -2.39 -0.00 -0.70 -1.69 115.31 108.94 1mrf h LEU 125 Ca -0.15 0.01 0.34 0.00 -0.00 0.00 0.00 57.88 58.09 1mrf h LEU 125 Cb 1.91 -0.03 -0.05 0.00 -0.00 0.00 0.00 40.66 42.50 1mrf h LEU 125 CO 0.21 0.16 0.88 0.74 -0.00 0.00 0.00 178.44 180.44 1mrf h THR 126 N 0.31 0.36 -0.51 0.22 2.02 -0.66 0.56 112.91 115.20 1mrf h THR 126 Ca 0.12 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.30 1mrf h THR 126 Cb 0.04 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1mrf h THR 126 CO -0.08 0.00 0.00 -1.20 0.37 0.00 0.00 175.52 174.61 1mrf n SER 127 N -4.09 4.55 0.00 4.18 7.64 -0.68 -4.95 113.62 120.27 1mrf n SER 127 Ca 0.25 -2.62 0.00 0.00 1.01 0.00 0.00 58.87 57.51 1mrf n SER 127 Cb 1.27 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 63.92 1mrf n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mrf n GLY 128 N 0.58 1.37 3.95 0.23 0.00 0.20 -5.04 105.19 106.49 1mrf n GLY 128 Ca 0.24 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.02 1mrf n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mrf s GLY 129 N -2.00 1.43 -0.40 -0.02 0.00 -0.91 -0.53 107.32 104.89 1mrf s GLY 129 Ca 0.00 -1.06 0.05 0.00 0.00 0.00 0.00 44.72 43.71 1mrf s GLY 129 CO 0.00 -1.05 0.49 0.00 0.00 0.00 0.00 173.10 172.54 1mrf s ALA 130 N -1.98 -1.13 -0.20 3.20 0.00 -0.17 -3.36 121.76 118.11 1mrf s ALA 130 Ca 0.36 -0.61 -0.15 0.00 0.00 0.00 0.00 51.96 51.56 1mrf s ALA 130 Cb -0.10 -2.32 -0.04 0.00 0.00 0.00 0.00 23.12 20.66 1mrf s ALA 130 CO 0.30 -2.18 0.35 -1.12 0.00 0.00 0.00 175.76 173.12 1mrf s SER 131 N 1.46 6.39 -0.20 0.00 0.01 -1.26 -1.22 113.70 118.89 1mrf s SER 131 Ca 0.18 0.46 -0.03 0.00 1.31 0.00 0.00 55.95 57.87 1mrf s SER 131 Cb -0.10 -2.21 -0.01 0.00 0.21 0.00 0.00 66.02 63.92 1mrf s SER 131 CO -0.05 -0.03 -0.06 0.54 0.41 0.00 0.00 173.24 174.06 1mrf s VAL 132 N 1.12 3.33 0.11 3.43 0.11 0.40 -3.52 120.40 125.39 1mrf s VAL 132 Ca 0.17 -0.52 0.04 0.00 -2.93 0.00 0.00 61.98 58.74 1mrf s VAL 132 Cb -0.14 -2.49 -0.04 0.00 -1.53 0.00 0.00 36.38 32.17 1mrf s VAL 132 CO 0.07 0.45 0.09 -0.69 -3.33 0.00 0.00 175.10 171.68 1mrf s VAL 133 N 1.23 4.44 -0.05 2.04 1.01 -1.11 -0.65 120.40 127.31 1mrf s VAL 133 Ca 0.03 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.10 1mrf s VAL 133 Cb -0.14 -3.18 0.03 0.00 0.00 0.00 0.00 36.38 33.08 1mrf s VAL 133 CO -0.02 0.04 -0.02 0.00 0.00 0.00 0.00 175.10 175.11 1mrf s PHE 135 N 1.41 3.15 -0.55 0.00 0.08 -0.32 -0.97 117.98 120.78 1mrf s PHE 135 Ca -0.04 -0.15 0.00 0.00 0.12 0.00 0.00 56.93 56.86 1mrf s PHE 135 Cb -0.13 -2.10 0.14 0.00 -0.57 0.00 0.00 43.02 40.36 1mrf s PHE 135 CO -0.03 -0.04 0.32 -0.51 -0.10 0.00 0.00 175.22 174.87 1mrf s LEU 136 N 0.74 4.83 0.11 -0.37 1.02 -0.14 -1.29 118.68 123.58 1mrf s LEU 136 Ca 0.02 -2.81 -0.01 0.00 0.02 0.00 0.00 54.13 51.35 1mrf s LEU 136 Cb -0.14 -1.75 -0.04 0.00 0.02 0.00 0.00 46.19 44.28 1mrf s LEU 136 CO 0.02 -0.33 0.29 0.20 0.02 0.00 0.00 176.35 176.55 1mrf s ASN 137 N 0.39 6.40 -0.97 2.29 0.01 -0.18 -2.07 114.94 120.81 1mrf s ASN 137 Ca 0.16 0.36 -0.12 0.00 -0.71 0.00 0.00 52.86 52.56 1mrf s ASN 137 Cb -0.23 -2.00 -0.00 0.00 0.41 0.00 0.00 41.25 39.44 1mrf s ASN 137 CO -0.02 0.10 0.71 0.59 -1.51 0.00 0.00 177.10 176.96 1mrf n ASN 138 N 0.01 -5.63 -4.55 -1.22 4.13 -0.90 -0.49 115.26 106.62 1mrf n ASN 138 Ca -0.04 -0.83 -0.26 0.00 1.68 0.00 0.00 54.58 55.13 1mrf n ASN 138 Cb 0.52 -3.15 -0.11 0.00 -1.54 0.00 0.00 39.78 35.50 1mrf n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1mrf s PHE 139 N -3.23 2.35 -0.28 3.10 -0.12 -0.13 -4.44 117.98 115.22 1mrf s PHE 139 Ca 0.24 -0.61 -0.18 0.00 -0.05 0.00 0.00 56.93 56.33 1mrf s PHE 139 Cb -0.09 -1.46 0.09 0.00 -0.63 0.00 0.00 43.02 40.93 1mrf s PHE 139 CO 0.86 0.46 0.77 -0.47 -0.05 0.00 0.00 175.22 176.79 1mrf s TYR 140 N -2.74 -0.89 1.04 3.49 6.14 -0.53 0.03 117.35 123.89 1mrf s TYR 140 Ca 0.33 1.86 -0.13 0.00 0.64 0.00 0.00 57.07 59.77 1mrf s TYR 140 Cb 0.05 0.51 0.21 0.00 0.42 0.00 0.00 41.96 43.15 1mrf s TYR 140 CO 0.16 -0.44 1.09 -1.25 0.64 0.00 0.00 175.55 175.75 1mrf s PRO 141 N 1.29 0.09 0.44 4.97 0.04 -1.26 -1.53 135.00 139.02 1mrf s PRO 141 Ca -0.07 0.47 0.30 0.00 0.04 0.00 0.00 61.00 61.74 1mrf s PRO 141 Cb -0.05 -1.70 1.36 0.00 0.04 0.00 0.00 34.50 34.15 1mrf s PRO 141 CO -0.15 -2.95 1.91 1.57 0.04 0.00 0.00 177.00 177.42 1mrf h LYS 142 N -2.05 0.00 -6.48 4.56 2.10 -1.98 -3.43 116.57 109.29 1mrf h LYS 142 Ca -0.55 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 57.55 1mrf h LYS 142 Cb 1.33 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.60 1mrf h LYS 142 CO 0.56 0.00 1.07 -0.51 -2.00 0.00 0.00 179.45 178.56 1mrf s ASP 143 N -4.91 6.25 0.07 7.07 1.01 -1.26 -4.98 116.67 119.93 1mrf s ASP 143 Ca 0.01 0.42 -0.00 0.00 0.71 0.00 0.00 52.55 53.68 1mrf s ASP 143 Cb 0.09 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.44 1mrf s ASP 143 CO 0.43 -1.58 -0.03 -0.51 0.21 0.00 0.00 175.17 173.69 1mrf s ILE 144 N 5.67 0.33 -0.05 0.77 2.07 -1.26 -4.53 121.20 124.20 1mrf s ILE 144 Ca 0.53 -1.85 0.01 0.00 -1.41 0.00 0.00 60.65 57.93 1mrf s ILE 144 Cb -0.11 -1.63 0.02 0.00 0.13 0.00 0.00 42.46 40.87 1mrf s ILE 144 CO 0.28 -0.90 -0.05 0.20 -1.91 0.00 0.00 174.94 172.56 1mrf s ASN 145 N -2.97 1.15 -0.06 4.50 -0.87 -0.40 -4.98 114.94 111.31 1mrf s ASN 145 Ca 0.10 -0.15 0.05 0.00 -1.57 0.00 0.00 52.86 51.29 1mrf s ASN 145 Cb 0.07 -0.51 -0.02 0.00 -0.02 0.00 0.00 41.25 40.78 1mrf s ASN 145 CO -0.07 -0.06 -0.21 -0.69 -2.57 0.00 0.00 177.10 173.50 1mrf s VAL 146 N 1.01 2.44 -0.02 1.60 1.01 -1.26 -0.13 120.40 125.05 1mrf s VAL 146 Ca -0.09 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.00 1mrf s VAL 146 Cb -0.14 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 1mrf s VAL 146 CO -0.00 0.57 -0.17 -0.54 0.00 0.00 0.00 175.10 174.96 1mrf s LYS 147 N -0.29 1.43 -0.14 2.72 1.02 0.34 -4.98 119.74 119.83 1mrf s LYS 147 Ca 0.01 -0.61 -0.05 0.00 0.02 0.00 0.00 55.97 55.34 1mrf s LYS 147 Cb -0.13 -1.36 -0.04 0.00 -0.52 0.00 0.00 37.83 35.78 1mrf s LYS 147 CO 0.03 0.35 0.03 -1.58 -0.92 0.00 0.00 175.35 173.26 1mrf s TRP 148 N -0.35 3.20 -0.06 3.18 0.52 -1.26 -1.03 118.94 123.13 1mrf s TRP 148 Ca 0.05 0.06 0.03 0.00 0.02 0.00 0.00 56.10 56.27 1mrf s TRP 148 Cb -0.07 -1.96 0.00 0.00 -1.15 0.00 0.00 33.47 30.29 1mrf s TRP 148 CO -0.00 0.24 -0.16 0.15 0.02 0.00 0.00 176.95 177.20 1mrf s LYS 149 N -0.09 1.93 -0.27 4.98 1.02 0.22 -0.35 119.74 127.18 1mrf s LYS 149 Ca 0.05 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 55.48 1mrf s LYS 149 Cb -0.12 -1.59 0.05 0.00 -0.52 0.00 0.00 37.83 35.64 1mrf s LYS 149 CO 0.02 0.15 -0.07 0.42 -0.92 0.00 0.00 175.35 174.95 1mrf s ILE 150 N 0.33 2.56 -1.48 2.17 1.01 0.21 -0.53 121.20 125.47 1mrf s ILE 150 Ca -0.10 -1.42 -0.02 0.00 0.00 0.00 0.00 60.65 59.10 1mrf s ILE 150 Cb -0.14 -2.44 0.01 0.00 0.01 0.00 0.00 42.46 39.90 1mrf s ILE 150 CO 0.04 0.01 0.22 0.47 0.00 0.00 0.00 174.94 175.67 1mrf n ASP 151 N 4.54 -5.21 0.00 3.58 8.00 -0.82 -0.70 116.55 125.94 1mrf n ASP 151 Ca -0.14 -0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.28 1mrf n ASP 151 Cb 0.44 -4.32 0.00 0.00 -0.02 0.00 0.00 41.12 37.22 1mrf n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mrf n GLY 152 N -1.12 3.17 3.73 0.44 0.00 -1.26 -5.04 105.19 105.12 1mrf n GLY 152 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 1mrf n GLY 152 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mrf s LYS 153 N -0.41 4.66 -0.14 1.61 2.47 0.12 -4.96 119.74 123.09 1mrf s LYS 153 Ca 0.00 1.55 -0.25 0.00 -1.56 0.00 0.00 55.97 55.70 1mrf s LYS 153 Cb 0.00 -3.34 -0.02 0.00 -1.46 0.00 0.00 37.83 33.01 1mrf s LYS 153 CO 0.00 0.16 0.82 -2.00 0.16 0.00 0.00 175.35 174.49 1mrf s GLU 154 N -0.09 4.34 -0.28 4.03 2.12 -1.26 0.65 118.70 128.21 1mrf s GLU 154 Ca 0.48 1.03 -0.11 0.00 0.36 0.00 0.00 54.97 56.73 1mrf s GLU 154 Cb -0.25 -3.54 -0.05 0.00 0.26 0.00 0.00 34.13 30.54 1mrf s GLU 154 CO 0.31 -0.23 0.19 0.50 -0.54 0.00 0.00 175.26 175.49 1mrf s ARG 155 N 1.81 3.95 -0.23 4.30 6.06 0.53 -4.95 118.95 130.42 1mrf s ARG 155 Ca 0.39 -0.32 0.04 0.00 -2.50 0.00 0.00 55.73 53.34 1mrf s ARG 155 Cb -0.17 -3.66 -0.19 0.00 0.06 0.00 0.00 34.95 30.99 1mrf s ARG 155 CO 0.15 -0.17 -0.11 1.04 -2.50 0.00 0.00 175.30 173.70 1mrf n GLN 156 N 5.03 0.67 -3.39 5.12 6.02 -1.26 -4.19 117.38 125.38 1mrf n GLN 156 Ca -0.14 0.14 -0.33 0.00 -0.01 0.00 0.00 57.00 56.66 1mrf n GLN 156 Cb 0.52 -1.54 -0.06 0.00 1.02 0.00 0.00 30.24 30.18 1mrf n GLN 156 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1mrf s ASN 157 N -6.42 6.70 0.00 1.08 -0.87 -1.26 -4.24 114.94 109.93 1mrf s ASN 157 Ca -0.30 0.98 0.00 0.00 -1.57 0.00 0.00 52.86 51.98 1mrf s ASN 157 Cb 0.08 -2.25 0.00 0.00 -0.02 0.00 0.00 41.25 39.06 1mrf s ASN 157 CO 0.65 -0.00 0.00 0.61 -2.57 0.00 0.00 177.10 175.79 1mrf n GLY 158 N 0.23 0.76 3.88 0.66 0.00 -1.26 -4.88 105.19 104.58 1mrf n GLY 158 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1mrf n GLY 158 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mrf s VAL 159 N -2.32 5.45 -0.09 1.61 -7.23 -1.26 -1.13 120.40 115.44 1mrf s VAL 159 Ca 0.00 0.22 0.00 0.00 -1.81 0.00 0.00 61.98 60.40 1mrf s VAL 159 Cb 0.00 -3.45 0.02 0.00 0.56 0.00 0.00 36.38 33.51 1mrf s VAL 159 CO 0.00 0.58 -0.08 -0.22 -0.31 0.00 0.00 175.10 175.06 1mrf s LEU 160 N -1.16 1.30 -0.07 1.32 0.20 0.52 -4.95 118.68 115.84 1mrf s LEU 160 Ca 0.17 -0.28 0.04 0.00 0.69 0.00 0.00 54.13 54.75 1mrf s LEU 160 Cb -0.12 -0.80 -0.02 0.00 -0.43 0.00 0.00 46.19 44.82 1mrf s LEU 160 CO 0.07 -0.08 -0.18 0.20 -0.29 0.00 0.00 176.35 176.07 1mrf s ASN 161 N 1.39 3.64 -0.06 3.68 0.01 -1.26 -0.39 114.94 121.94 1mrf s ASN 161 Ca -0.01 -0.35 -0.02 0.00 -0.71 0.00 0.00 52.86 51.76 1mrf s ASN 161 Cb -0.14 -1.02 0.04 0.00 0.41 0.00 0.00 41.25 40.55 1mrf s ASN 161 CO -0.04 0.26 0.13 -0.94 -1.51 0.00 0.00 177.10 175.00 1mrf s SER 162 N -0.25 -0.08 0.08 -1.22 1.04 -0.84 -5.00 113.70 107.43 1mrf s SER 162 Ca 0.00 0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.69 1mrf s SER 162 Cb -0.13 0.14 -0.04 0.00 0.10 0.00 0.00 66.02 66.09 1mrf s SER 162 CO 0.03 -0.15 0.23 0.26 0.98 0.00 0.00 173.24 174.59 1mrf s TRP 163 N 1.17 3.51 0.80 5.02 0.51 -1.26 -1.37 118.94 127.31 1mrf s TRP 163 Ca -0.09 0.24 -0.04 0.00 -2.12 0.00 0.00 56.10 54.08 1mrf s TRP 163 Cb -0.12 -1.75 0.16 0.00 -0.81 0.00 0.00 33.47 30.95 1mrf s TRP 163 CO -0.05 0.57 1.10 0.95 -0.51 0.00 0.00 176.95 179.00 1mrf s THR 164 N -1.55 2.03 0.46 2.01 -4.23 -0.20 -4.97 115.64 109.19 1mrf s THR 164 Ca 0.35 -0.47 -0.00 0.00 -1.18 0.00 0.00 61.69 60.39 1mrf s THR 164 Cb -0.13 -2.56 -0.00 0.00 1.34 0.00 0.00 72.50 71.15 1mrf s THR 164 CO 0.28 0.00 0.69 -0.62 -0.54 0.00 0.00 174.62 174.43 1mrf s ASP 165 N -4.83 5.80 0.18 3.99 -1.08 -1.26 -4.66 116.67 114.82 1mrf s ASP 165 Ca 0.70 0.32 -0.32 0.00 -0.52 0.00 0.00 52.55 52.72 1mrf s ASP 165 Cb -0.04 -1.54 -0.15 0.00 -1.46 0.00 0.00 42.92 39.73 1mrf s ASP 165 CO 0.47 -0.74 1.18 1.67 0.52 0.00 0.00 175.17 178.27 1mrf n GLN 166 N -2.13 1.26 -2.22 4.34 7.27 -1.26 -4.79 117.38 119.85 1mrf n GLN 166 Ca 0.02 0.45 -0.42 0.00 0.07 0.00 0.00 57.00 57.11 1mrf n GLN 166 Cb 0.58 -1.96 -0.03 0.00 2.41 0.00 0.00 30.24 31.24 1mrf n GLN 166 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 1mrf s ASN 167 N 0.00 6.83 0.00 1.69 2.47 0.38 -4.87 114.94 121.45 1mrf s ASN 167 Ca 0.72 2.05 0.08 0.00 0.42 0.00 0.00 52.86 56.13 1mrf s ASN 167 Cb -0.82 -2.55 0.44 0.00 -1.45 0.00 0.00 41.25 36.87 1mrf s ASN 167 CO 0.52 -0.77 1.04 -1.20 -3.72 0.00 0.00 177.10 172.97 1mrf n SER 168 N 6.01 0.00 -0.02 -4.21 7.64 -1.26 -0.17 113.62 121.61 1mrf n SER 168 Ca 0.14 -0.02 -0.02 0.00 1.01 0.00 0.00 58.87 59.98 1mrf n SER 168 Cb 0.44 -0.16 -0.02 0.00 -1.01 0.00 0.00 64.21 63.46 1mrf n SER 168 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1mrf n LYS 169 N -1.16 2.40 0.00 1.43 3.00 -1.26 -4.13 118.16 118.44 1mrf n LYS 169 Ca 0.05 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 1mrf n LYS 169 Cb 0.05 -1.08 0.00 0.00 0.00 0.00 0.00 35.03 34.00 1mrf n LYS 169 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1mrf n ASP 170 N -2.28 0.74 -0.57 3.14 5.75 -1.18 -5.03 116.55 117.12 1mrf n ASP 170 Ca -0.06 -1.24 -0.07 0.00 -0.01 0.00 0.00 54.79 53.41 1mrf n ASP 170 Cb 0.59 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.65 1mrf n ASP 170 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1mrf n SER 171 N -0.12 -5.47 -4.97 -1.12 7.64 0.76 -4.96 113.62 105.38 1mrf n SER 171 Ca 0.00 0.18 -0.21 0.00 1.01 0.00 0.00 58.87 59.85 1mrf n SER 171 Cb 0.24 -3.63 0.03 0.00 -1.01 0.00 0.00 64.21 59.85 1mrf n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1mrf s THR 172 N -1.75 2.87 0.38 0.44 -4.23 -1.26 -4.54 115.64 107.54 1mrf s THR 172 Ca 0.00 -0.63 0.08 0.00 -1.18 0.00 0.00 61.69 59.96 1mrf s THR 172 Cb 0.00 -3.07 -0.05 0.00 1.34 0.00 0.00 72.50 70.71 1mrf s THR 172 CO 0.00 -0.05 0.12 -0.31 -0.54 0.00 0.00 174.62 173.84 1mrf s TYR 173 N -2.74 2.61 0.09 3.99 2.02 0.10 -0.47 117.35 122.96 1mrf s TYR 173 Ca 0.56 -0.50 -0.07 0.00 -0.37 0.00 0.00 57.07 56.69 1mrf s TYR 173 Cb -0.10 -1.75 -0.01 0.00 -0.40 0.00 0.00 41.96 39.69 1mrf s TYR 173 CO 0.38 0.31 0.14 -1.12 -1.57 0.00 0.00 175.55 173.69 1mrf s SER 174 N -3.83 0.21 -0.08 2.29 0.01 -1.26 -0.96 113.70 110.08 1mrf s SER 174 Ca 0.38 -0.78 -0.22 0.00 1.31 0.00 0.00 55.95 56.64 1mrf s SER 174 Cb 0.02 0.31 0.05 0.00 0.21 0.00 0.00 66.02 66.61 1mrf s SER 174 CO 0.21 -0.71 0.51 -0.32 0.41 0.00 0.00 173.24 173.35 1mrf s MET 175 N -3.89 0.81 -0.09 12.44 1.75 -0.88 -1.04 119.30 128.40 1mrf s MET 175 Ca 0.07 0.24 0.02 0.00 -1.25 0.00 0.00 55.69 54.78 1mrf s MET 175 Cb 0.06 0.38 0.01 0.00 2.84 0.00 0.00 34.83 38.11 1mrf s MET 175 CO -0.09 -0.21 -0.16 -1.54 -0.65 0.00 0.00 175.02 172.37 1mrf s SER 176 N -0.83 2.34 -0.17 1.11 1.04 -0.47 -0.97 113.70 115.75 1mrf s SER 176 Ca -0.09 -0.41 -0.02 0.00 0.48 0.00 0.00 55.95 55.91 1mrf s SER 176 Cb -0.03 -1.06 -0.01 0.00 0.10 0.00 0.00 66.02 65.02 1mrf s SER 176 CO 0.05 0.05 -0.09 -0.55 0.98 0.00 0.00 173.24 173.68 1mrf s SER 177 N 0.76 4.17 -0.12 7.02 0.15 -0.15 -1.99 113.70 123.54 1mrf s SER 177 Ca -0.12 -0.34 0.03 0.00 0.70 0.00 0.00 55.95 56.22 1mrf s SER 177 Cb -0.16 -1.67 0.00 0.00 -1.71 0.00 0.00 66.02 62.48 1mrf s SER 177 CO 0.02 0.09 -0.21 -0.89 1.20 0.00 0.00 173.24 173.45 1mrf s THR 178 N 0.82 2.21 -0.24 6.45 2.01 0.47 -0.50 115.64 126.86 1mrf s THR 178 Ca -0.03 -0.95 -0.09 0.00 0.31 0.00 0.00 61.69 60.93 1mrf s THR 178 Cb -0.15 -1.88 -0.04 0.00 0.01 0.00 0.00 72.50 70.44 1mrf s THR 178 CO 0.01 0.55 0.12 -0.22 -0.69 0.00 0.00 174.62 174.39 1mrf s LEU 179 N 0.58 3.79 -0.21 4.42 2.96 0.18 -0.36 118.68 130.05 1mrf s LEU 179 Ca -0.12 -0.04 -0.05 0.00 -0.22 0.00 0.00 54.13 53.70 1mrf s LEU 179 Cb -0.17 -2.02 -0.02 0.00 0.50 0.00 0.00 46.19 44.49 1mrf s LEU 179 CO 0.03 0.02 -0.00 -0.89 -1.32 0.00 0.00 176.35 174.19 1mrf s THR 180 N 1.33 3.84 0.30 3.68 2.01 -0.28 -0.45 115.64 126.06 1mrf s THR 180 Ca 0.06 -0.34 0.03 0.00 0.31 0.00 0.00 61.69 61.74 1mrf s THR 180 Cb -0.15 -2.75 -0.04 0.00 0.01 0.00 0.00 72.50 69.58 1mrf s THR 180 CO 0.05 0.42 0.13 -0.76 -0.69 0.00 0.00 174.62 173.77 1mrf s LEU 181 N 1.19 1.71 0.60 4.42 1.02 -0.35 -4.81 118.68 122.46 1mrf s LEU 181 Ca 0.03 -1.50 -0.03 0.00 0.02 0.00 0.00 54.13 52.65 1mrf s LEU 181 Cb -0.14 0.08 0.04 0.00 0.02 0.00 0.00 46.19 46.18 1mrf s LEU 181 CO 0.01 -0.82 0.87 0.42 0.02 0.00 0.00 176.35 176.85 1mrf s THR 182 N -3.61 2.84 0.35 5.49 -4.23 -1.26 -1.00 115.64 114.21 1mrf s THR 182 Ca 0.35 -0.38 0.03 0.00 -1.18 0.00 0.00 61.69 60.51 1mrf s THR 182 Cb 0.06 -3.13 0.25 0.00 1.34 0.00 0.00 72.50 71.01 1mrf s THR 182 CO 0.16 -0.12 1.99 0.50 -0.54 0.00 0.00 174.62 176.61 1mrf h LYS 183 N -0.19 0.78 -0.00 3.99 3.64 -1.02 -2.43 116.57 121.34 1mrf h LYS 183 Ca -0.44 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1mrf h LYS 183 Cb 1.29 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1mrf h LYS 183 CO 0.57 0.55 -0.00 -0.44 -2.27 0.00 0.00 179.45 177.86 1mrf h ASP 184 N 0.79 0.00 -0.41 4.20 3.32 -1.94 -1.47 116.42 120.92 1mrf h ASP 184 Ca 0.21 -0.33 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 1mrf h ASP 184 Cb -0.03 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 1mrf h ASP 184 CO -0.04 0.33 0.19 -0.08 -1.72 0.00 0.00 179.24 177.92 1mrf h GLU 185 N -0.32 0.60 -0.19 3.56 4.81 -1.94 -2.92 114.58 118.17 1mrf h GLU 185 Ca 0.00 -0.09 0.04 0.00 -0.13 0.00 0.00 59.36 59.18 1mrf h GLU 185 Cb 0.33 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 1mrf h GLU 185 CO 0.00 0.53 -0.09 -0.92 -0.73 0.00 0.00 179.01 177.81 1mrf h TYR 186 N 0.52 -0.20 0.00 0.92 3.20 -1.38 -1.89 116.97 118.14 1mrf h TYR 186 Ca 0.14 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1mrf h TYR 186 Cb 0.14 0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.53 1mrf h TYR 186 CO -0.01 -0.14 0.00 0.39 -1.64 0.00 0.00 178.16 176.76 1mrf n GLU 187 N -5.24 0.04 0.22 1.82 1.02 -0.56 -2.36 120.64 115.57 1mrf n GLU 187 Ca -0.02 0.40 0.13 0.00 -0.02 0.00 0.00 57.16 57.65 1mrf n GLU 187 Cb 0.16 -1.59 0.24 0.00 -0.02 0.00 0.00 31.44 30.23 1mrf n GLU 187 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1mrf h ARG 188 N 0.00 0.00 0.00 3.49 3.08 -1.15 -3.47 114.38 116.32 1mrf h ARG 188 Ca 0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.56 1mrf h ARG 188 Cb 0.15 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.14 1mrf h ARG 188 CO 0.00 0.00 -0.27 0.72 -1.07 0.00 0.00 179.97 179.35 1mrf n HIS 189 N -3.04 -0.29 0.02 3.04 8.25 -0.99 -5.11 115.22 117.10 1mrf n HIS 189 Ca 0.04 -1.95 -0.02 0.00 -0.26 0.00 0.00 57.72 55.53 1mrf n HIS 189 Cb 0.50 -0.34 -0.01 0.00 1.12 0.00 0.00 29.99 31.26 1mrf n HIS 189 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1mrf n ASN 190 N -1.70 1.09 -4.69 0.41 4.05 -1.26 -4.81 115.26 108.35 1mrf n ASN 190 Ca -0.06 0.15 -0.35 0.00 0.45 0.00 0.00 54.58 54.77 1mrf n ASN 190 Cb 0.52 -0.36 -0.09 0.00 1.23 0.00 0.00 39.78 41.08 1mrf n ASN 190 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1mrf s SER 191 N -5.89 5.25 -0.16 1.20 1.04 -1.26 0.38 113.70 114.27 1mrf s SER 191 Ca -0.05 0.14 0.01 0.00 0.48 0.00 0.00 55.95 56.54 1mrf s SER 191 Cb 0.01 -1.48 0.02 0.00 0.10 0.00 0.00 66.02 64.67 1mrf s SER 191 CO 0.07 0.37 -0.19 -0.31 0.98 0.00 0.00 173.24 174.16 1mrf s TYR 192 N -0.90 2.53 -0.08 5.02 1.51 -0.26 -1.94 117.35 123.22 1mrf s TYR 192 Ca 0.14 -1.41 0.04 0.00 -1.01 0.00 0.00 57.07 54.82 1mrf s TYR 192 Cb -0.11 -1.77 -0.01 0.00 -0.11 0.00 0.00 41.96 39.95 1mrf s TYR 192 CO 0.03 -0.70 -0.19 0.99 -1.11 0.00 0.00 175.55 174.57 1mrf s THR 193 N 1.21 2.56 -0.30 -0.71 2.01 0.32 -2.03 115.64 118.70 1mrf s THR 193 Ca 0.01 -0.87 -0.05 0.00 0.31 0.00 0.00 61.69 61.09 1mrf s THR 193 Cb -0.14 -2.00 0.03 0.00 0.01 0.00 0.00 72.50 70.40 1mrf s THR 193 CO -0.09 0.56 0.05 0.00 -0.69 0.00 0.00 174.62 174.45 1mrf s GLU 195 N 1.40 3.00 -0.03 0.00 2.02 -0.20 -0.81 118.70 124.08 1mrf s GLU 195 Ca -0.01 -0.70 0.04 0.00 0.02 0.00 0.00 54.97 54.32 1mrf s GLU 195 Cb -0.18 -2.51 -0.00 0.00 0.10 0.00 0.00 34.13 31.54 1mrf s GLU 195 CO 0.01 0.38 -0.13 0.00 0.02 0.00 0.00 175.26 175.54 1mrf s ALA 196 N -0.09 1.20 -0.18 5.21 0.00 0.94 -0.50 121.76 128.33 1mrf s ALA 196 Ca -0.02 -0.53 -0.01 0.00 0.00 0.00 0.00 51.96 51.40 1mrf s ALA 196 Cb -0.14 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.58 1mrf s ALA 196 CO 0.04 0.22 -0.13 0.95 0.00 0.00 0.00 175.76 176.84 1mrf s THR 197 N 0.06 2.78 0.05 0.00 -4.23 0.81 -0.10 115.64 115.01 1mrf s THR 197 Ca -0.02 -0.71 -0.00 0.00 -1.18 0.00 0.00 61.69 59.78 1mrf s THR 197 Cb -0.09 -2.21 -0.03 0.00 1.34 0.00 0.00 72.50 71.51 1mrf s THR 197 CO 0.01 0.49 -0.04 -2.28 -0.54 0.00 0.00 174.62 172.26 1mrf s HIS 198 N 1.10 0.50 0.36 3.99 5.04 -1.26 -1.28 115.29 123.74 1mrf s HIS 198 Ca 0.00 -0.84 0.17 0.00 -1.54 0.00 0.00 55.06 52.86 1mrf s HIS 198 Cb -0.14 -0.35 1.14 0.00 0.04 0.00 0.00 32.58 33.27 1mrf s HIS 198 CO -0.04 -0.27 1.67 -0.22 -2.34 0.00 0.00 174.74 173.55 1mrf h LYS 199 N 3.69 0.29 0.00 2.88 3.64 -1.95 -2.75 116.57 122.38 1mrf h LYS 199 Ca -0.34 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1mrf h LYS 199 Cb 1.17 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1mrf h LYS 199 CO 0.56 0.19 0.00 0.25 -2.27 0.00 0.00 179.45 178.18 1mrf n THR 200 N -4.94 0.00 0.00 1.00 -2.24 -1.26 -4.43 114.28 102.40 1mrf n THR 200 Ca 0.32 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.10 1mrf n THR 200 Cb 1.04 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 1mrf n THR 200 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1mrf n SER 201 N -0.81 0.86 0.00 3.42 7.64 -1.04 -4.97 113.62 118.73 1mrf n SER 201 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1mrf n SER 201 Cb 0.02 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1mrf n SER 201 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1mrf n THR 202 N -1.42 0.00 -3.31 0.44 -2.24 -1.26 -4.86 114.28 101.63 1mrf n THR 202 Ca 0.00 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 1mrf n THR 202 Cb 0.10 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.27 1mrf n THR 202 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1mrf s SER 203 N 0.00 6.77 0.51 3.42 1.04 -1.26 -5.04 113.70 119.14 1mrf s SER 203 Ca 0.00 0.92 -0.23 0.00 0.48 0.00 0.00 55.95 57.12 1mrf s SER 203 Cb 0.00 -2.30 -0.07 0.00 0.10 0.00 0.00 66.02 63.75 1mrf s SER 203 CO 0.00 0.07 1.28 -0.81 0.98 0.00 0.00 173.24 174.75 1mrf n PRO 204 N 3.21 1.68 -2.91 4.02 -0.04 -1.26 -4.94 135.00 134.77 1mrf n PRO 204 Ca -0.08 0.61 -0.41 0.00 -0.04 0.00 0.00 63.50 63.59 1mrf n PRO 204 Cb 0.52 -2.45 -0.04 0.00 -0.04 0.00 0.00 33.50 31.48 1mrf n PRO 204 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1mrf s ILE 205 N -1.28 4.97 -0.09 0.52 1.01 0.85 -4.89 121.20 122.29 1mrf s ILE 205 Ca 0.68 1.69 0.01 0.00 0.00 0.00 0.00 60.65 63.04 1mrf s ILE 205 Cb -0.45 -4.15 0.02 0.00 0.01 0.00 0.00 42.46 37.88 1mrf s ILE 205 CO 0.52 0.20 -0.12 -0.69 0.00 0.00 0.00 174.94 174.86 1mrf s VAL 206 N 0.95 1.19 -0.03 2.92 1.01 -1.26 -0.04 120.40 125.14 1mrf s VAL 206 Ca 0.43 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 62.01 1mrf s VAL 206 Cb -0.19 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 1mrf s VAL 206 CO 0.22 0.38 -0.23 -0.75 0.00 0.00 0.00 175.10 174.71 1mrf s LYS 207 N 1.00 2.08 0.11 2.72 2.47 0.01 -5.00 119.74 123.13 1mrf s LYS 207 Ca -0.08 -0.83 -0.07 0.00 -1.56 0.00 0.00 55.97 53.43 1mrf s LYS 207 Cb -0.15 -1.90 -0.01 0.00 -1.46 0.00 0.00 37.83 34.31 1mrf s LYS 207 CO -0.01 0.44 0.18 0.45 0.16 0.00 0.00 175.35 176.57 1mrf s SER 208 N -0.37 0.16 -0.16 1.43 0.15 -1.26 -0.49 113.70 113.15 1mrf s SER 208 Ca 0.04 -0.79 -0.15 0.00 0.70 0.00 0.00 55.95 55.76 1mrf s SER 208 Cb -0.11 0.34 0.04 0.00 -1.71 0.00 0.00 66.02 64.59 1mrf s SER 208 CO 0.01 -0.75 0.43 0.72 1.20 0.00 0.00 173.24 174.85 1mrf s PHE 209 N -3.91 -0.49 -0.23 3.44 -0.12 -0.86 -5.00 117.98 110.82 1mrf s PHE 209 Ca 0.09 1.18 -0.05 0.00 -0.05 0.00 0.00 56.93 58.10 1mrf s PHE 209 Cb 0.05 0.17 -0.02 0.00 -0.63 0.00 0.00 43.02 42.60 1mrf s PHE 209 CO -0.07 -0.24 -0.00 -0.80 -0.05 0.00 0.00 175.22 174.05 1mrf s ASN 210 N 0.34 4.61 0.00 1.98 0.01 -1.26 -1.11 114.94 119.51 1mrf s ASN 210 Ca -0.01 -0.31 0.09 0.00 -0.71 0.00 0.00 52.86 51.92 1mrf s ASN 210 Cb -0.03 -1.80 0.54 0.00 0.41 0.00 0.00 41.25 40.36 1mrf s ASN 210 CO -0.01 -0.01 0.99 -1.14 -1.51 0.00 0.00 177.10 175.42