#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a4j s LEU 2 N 0.00 4.16 -0.17 -1.84 2.96 -1.26 -5.02 118.68 117.51 1a4j s LEU 2 Ca 0.00 1.37 -0.16 0.00 -0.22 0.00 0.00 54.13 55.12 1a4j s LEU 2 Cb 0.00 -3.47 -0.04 0.00 0.50 0.00 0.00 46.19 43.18 1a4j s LEU 2 CO 0.00 -0.54 0.38 -0.69 -1.32 0.00 0.00 176.35 174.18 1a4j s VAL 3 N 2.63 5.23 -0.31 1.68 1.01 -1.26 -4.81 120.40 124.57 1a4j s VAL 3 Ca 0.44 0.72 -0.05 0.00 0.00 0.00 0.00 61.98 63.08 1a4j s VAL 3 Cb -0.16 -3.72 0.03 0.00 0.00 0.00 0.00 36.38 32.53 1a4j s VAL 3 CO 0.11 0.31 0.06 -0.04 0.00 0.00 0.00 175.10 175.54 1a4j s MET 4 N 0.88 2.79 -0.35 2.72 1.00 -1.26 0.16 119.30 125.24 1a4j s MET 4 Ca 0.20 -1.05 -0.11 0.00 0.00 0.00 0.00 55.69 54.72 1a4j s MET 4 Cb -0.14 -3.34 0.01 0.00 0.00 0.00 0.00 34.83 31.35 1a4j s MET 4 CO 0.07 -0.55 0.21 0.99 0.00 0.00 0.00 175.02 175.74 1a4j s THR 5 N 1.41 4.81 -0.43 2.05 2.01 0.11 -3.80 115.64 121.80 1a4j s THR 5 Ca -0.00 -0.57 -0.21 0.00 0.31 0.00 0.00 61.69 61.22 1a4j s THR 5 Cb -0.18 -3.56 0.02 0.00 0.01 0.00 0.00 72.50 68.78 1a4j s THR 5 CO 0.01 -0.10 0.67 -1.10 -0.69 0.00 0.00 174.62 173.41 1a4j s GLN 6 N 1.62 3.36 0.02 4.92 -0.21 -1.26 -1.10 119.66 127.01 1a4j s GLN 6 Ca 0.04 -0.26 -0.07 0.00 0.02 0.00 0.00 55.36 55.09 1a4j s GLN 6 Cb -0.18 -3.93 -0.03 0.00 1.00 0.00 0.00 33.01 29.87 1a4j s GLN 6 CO 0.08 -0.99 1.11 1.15 -2.12 0.00 0.00 175.29 174.52 1a4j h THR 7 N 5.87 0.00 -2.69 -0.19 2.02 -1.73 -3.37 112.91 112.82 1a4j h THR 7 Ca -0.25 0.00 -0.54 0.00 0.77 0.00 0.00 66.41 66.38 1a4j h THR 7 Cb 1.10 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.46 1a4j h THR 7 CO 0.90 0.00 1.17 -2.84 0.37 0.00 0.00 175.52 175.11 1a4j s PRO 8 N -3.55 3.21 0.25 6.66 0.02 -1.26 -4.80 135.00 135.52 1a4j s PRO 8 Ca -0.03 0.67 -0.05 0.00 0.02 0.00 0.00 61.00 61.61 1a4j s PRO 8 Cb 0.01 -4.17 0.28 0.00 0.02 0.00 0.00 34.50 30.64 1a4j s PRO 8 CO 0.12 -2.03 1.82 1.25 -0.33 0.00 0.00 177.00 177.83 1a4j h LEU 9 N 13.69 0.97 -7.72 -5.54 7.12 -1.85 -3.41 115.31 118.57 1a4j h LEU 9 Ca -0.28 -0.14 -0.25 0.00 0.13 0.00 0.00 57.88 57.34 1a4j h LEU 9 Cb 1.12 -0.25 -0.29 0.00 -0.53 0.00 0.00 40.66 40.71 1a4j h LEU 9 CO 1.15 0.87 -0.73 -0.55 -0.13 0.00 0.00 178.44 179.05 1a4j s SER 10 N -6.43 0.10 -0.29 1.25 0.15 -1.26 -1.30 113.70 105.93 1a4j s SER 10 Ca -0.11 -0.01 0.01 0.00 0.70 0.00 0.00 55.95 56.54 1a4j s SER 10 Cb 0.16 -0.03 0.09 0.00 -1.71 0.00 0.00 66.02 64.53 1a4j s SER 10 CO 0.82 -0.01 0.03 -0.22 1.20 0.00 0.00 173.24 175.06 1a4j s LEU 11 N 0.15 3.04 0.13 3.45 0.20 0.21 -4.90 118.68 120.97 1a4j s LEU 11 Ca -0.01 -1.61 -0.30 0.00 0.69 0.00 0.00 54.13 52.90 1a4j s LEU 11 Cb -0.02 -1.18 -0.07 0.00 -0.43 0.00 0.00 46.19 44.49 1a4j s LEU 11 CO -0.00 -0.34 1.07 -2.84 -0.29 0.00 0.00 176.35 173.94 1a4j s PRO 12 N 1.34 4.60 0.06 0.98 0.02 -1.26 -1.27 135.00 139.47 1a4j s PRO 12 Ca 0.05 1.63 -0.07 0.00 0.02 0.00 0.00 61.00 62.62 1a4j s PRO 12 Cb -0.18 -3.33 -0.01 0.00 0.02 0.00 0.00 34.50 31.01 1a4j s PRO 12 CO -0.13 0.06 0.15 0.54 -0.33 0.00 0.00 177.00 177.29 1a4j s VAL 13 N 0.07 0.14 -0.06 3.83 0.11 0.49 -4.73 120.40 120.25 1a4j s VAL 13 Ca 0.50 -1.14 -0.03 0.00 -2.93 0.00 0.00 61.98 58.38 1a4j s VAL 13 Cb -0.27 -1.13 -0.04 0.00 -1.53 0.00 0.00 36.38 33.41 1a4j s VAL 13 CO 0.32 -0.63 0.10 -0.44 -3.33 0.00 0.00 175.10 171.12 1a4j s SER 14 N -2.47 5.92 0.32 3.54 0.01 -1.26 0.14 113.70 119.91 1a4j s SER 14 Ca -0.00 0.28 -0.29 0.00 1.31 0.00 0.00 55.95 57.25 1a4j s SER 14 Cb 0.02 -1.80 -0.11 0.00 0.21 0.00 0.00 66.02 64.34 1a4j s SER 14 CO -0.07 0.34 1.55 0.18 0.41 0.00 0.00 173.24 175.64 1a4j n LEU 15 N 1.59 4.49 0.00 2.44 4.77 -1.26 -1.63 117.00 127.40 1a4j n LEU 15 Ca -0.16 1.18 0.00 0.00 -0.03 0.00 0.00 56.01 57.00 1a4j n LEU 15 Cb 0.54 -1.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.03 1a4j n LEU 15 CO 0.35 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1a4j n GLY 16 N 1.51 3.31 3.94 -0.72 0.00 0.38 -4.88 105.19 108.72 1a4j n GLY 16 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 1a4j n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a4j s ASP 17 N -1.04 3.93 -0.08 1.61 1.11 -0.64 -3.82 116.67 117.75 1a4j s ASP 17 Ca 0.00 0.29 -0.10 0.00 0.18 0.00 0.00 52.55 52.92 1a4j s ASP 17 Cb 0.00 -0.60 -0.05 0.00 1.07 0.00 0.00 42.92 43.35 1a4j s ASP 17 CO 0.00 -2.20 0.23 -1.58 1.18 0.00 0.00 175.17 172.80 1a4j s GLN 18 N -5.57 3.60 0.02 8.23 2.00 -1.26 0.11 119.66 126.79 1a4j s GLN 18 Ca 0.68 0.05 0.07 0.00 -2.00 0.00 0.00 55.36 54.15 1a4j s GLN 18 Cb -0.07 -3.20 -0.03 0.00 0.80 0.00 0.00 33.01 30.52 1a4j s GLN 18 CO 0.49 0.75 -0.20 0.00 -0.50 0.00 0.00 175.29 175.83 1a4j s ALA 19 N -1.05 2.49 -0.10 1.58 0.00 0.82 -4.95 121.76 120.54 1a4j s ALA 19 Ca 0.18 -1.16 -0.02 0.00 0.00 0.00 0.00 51.96 50.96 1a4j s ALA 19 Cb -0.14 -0.71 0.04 0.00 0.00 0.00 0.00 23.12 22.32 1a4j s ALA 19 CO 0.07 0.56 0.02 0.45 0.00 0.00 0.00 175.76 176.86 1a4j s SER 20 N -1.17 1.91 -0.07 0.00 0.15 -1.26 0.32 113.70 113.59 1a4j s SER 20 Ca 0.13 -0.27 0.01 0.00 0.70 0.00 0.00 55.95 56.52 1a4j s SER 20 Cb -0.10 -0.45 -0.03 0.00 -1.71 0.00 0.00 66.02 63.73 1a4j s SER 20 CO 0.03 -0.23 -0.09 -0.63 1.20 0.00 0.00 173.24 173.52 1a4j s ILE 21 N 1.96 3.55 -0.02 6.45 1.01 0.63 -4.95 121.20 129.84 1a4j s ILE 21 Ca 0.03 -0.54 0.04 0.00 0.00 0.00 0.00 60.65 60.19 1a4j s ILE 21 Cb -0.14 -2.44 -0.03 0.00 0.01 0.00 0.00 42.46 39.87 1a4j s ILE 21 CO -0.06 0.59 -0.14 -0.55 0.00 0.00 0.00 174.94 174.79 1a4j s SER 22 N -0.76 4.08 -0.04 3.58 0.15 -1.26 -0.85 113.70 118.60 1a4j s SER 22 Ca 0.12 -0.24 -0.01 0.00 0.70 0.00 0.00 55.95 56.52 1a4j s SER 22 Cb -0.11 -0.84 0.03 0.00 -1.71 0.00 0.00 66.02 63.39 1a4j s SER 22 CO 0.01 0.31 0.01 0.00 1.20 0.00 0.00 173.24 174.78 1a4j s ARG 24 N 1.54 2.64 0.15 0.00 3.52 -0.26 -0.66 118.95 125.87 1a4j s ARG 24 Ca -0.02 -0.88 0.03 0.00 -0.13 0.00 0.00 55.73 54.73 1a4j s ARG 24 Cb -0.13 -2.22 -0.04 0.00 -1.56 0.00 0.00 34.95 31.01 1a4j s ARG 24 CO -0.03 0.37 0.23 -1.54 -0.81 0.00 0.00 175.30 173.52 1a4j s SER 25 N -0.13 6.07 0.16 -2.12 1.04 0.21 0.05 113.70 118.98 1a4j s SER 25 Ca -0.04 0.08 -0.12 0.00 0.48 0.00 0.00 55.95 56.34 1a4j s SER 25 Cb -0.14 -1.76 0.04 0.00 0.10 0.00 0.00 66.02 64.26 1a4j s SER 25 CO 0.04 0.06 1.66 0.77 0.98 0.00 0.00 173.24 176.75 1a4j h SER 26 N 2.27 0.83 -2.84 7.02 4.64 -0.60 -3.45 113.55 121.43 1a4j h SER 26 Ca -0.48 -0.24 -0.51 0.00 -0.47 0.00 0.00 61.79 60.09 1a4j h SER 26 Cb 1.19 -0.22 -0.14 0.00 -0.31 0.00 0.00 62.40 62.93 1a4j h SER 26 CO 0.67 0.86 -0.67 -1.10 -0.87 0.00 0.00 176.83 175.72 1a4j s GLN 27 N -5.27 1.58 0.32 4.77 -0.21 -1.26 -4.99 119.66 114.61 1a4j s GLN 27 Ca -0.13 -1.80 -0.29 0.00 0.02 0.00 0.00 55.36 53.16 1a4j s GLN 27 Cb 0.12 -1.20 -0.11 0.00 1.00 0.00 0.00 33.01 32.82 1a4j s GLN 27 CO 0.81 0.04 1.49 0.45 -2.12 0.00 0.00 175.29 175.96 1a4j s SER 28 N -3.46 6.46 -0.09 5.90 0.15 -1.26 -4.68 113.70 116.71 1a4j s SER 28 Ca 0.30 2.91 0.12 0.00 0.70 0.00 0.00 55.95 59.97 1a4j s SER 28 Cb 0.04 -2.65 0.50 0.00 -1.71 0.00 0.00 66.02 62.20 1a4j s SER 28 CO 0.12 -0.81 1.34 0.18 1.20 0.00 0.00 173.24 175.27 1a4j n LEU 29 N 1.36 3.55 -4.56 3.45 4.77 -0.02 -4.83 117.00 120.73 1a4j n LEU 29 Ca 0.04 -1.79 -0.42 0.00 -0.03 0.00 0.00 56.01 53.80 1a4j n LEU 29 Cb 0.39 -0.51 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 1a4j n LEU 29 CO 0.63 0.57 0.97 -0.69 -1.33 0.00 0.00 177.39 177.54 1a4j s VAL 30 N -1.84 4.14 0.73 4.08 1.01 -1.26 -3.54 120.40 123.72 1a4j s VAL 30 Ca 0.35 0.70 -0.14 0.00 0.00 0.00 0.00 61.98 62.89 1a4j s VAL 30 Cb 0.23 -4.67 0.04 0.00 0.00 0.00 0.00 36.38 31.99 1a4j s VAL 30 CO 0.15 -1.27 1.15 -2.28 0.00 0.00 0.00 175.10 172.86 1a4j s HIS 31 N 4.63 2.26 -0.18 5.22 2.46 -0.12 -4.89 115.29 124.68 1a4j s HIS 31 Ca 0.39 1.60 0.27 0.00 0.47 0.00 0.00 55.06 57.79 1a4j s HIS 31 Cb -0.09 -3.30 1.26 0.00 -0.13 0.00 0.00 32.58 30.31 1a4j s HIS 31 CO 0.23 -2.21 1.82 0.66 -2.47 0.00 0.00 174.74 172.78 1a4j h SER 32 N -0.44 0.00 0.36 9.88 4.64 -1.95 -0.85 113.55 125.19 1a4j h SER 32 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1a4j h SER 32 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1a4j h SER 32 CO 0.51 0.00 -0.09 -0.46 -0.87 0.00 0.00 176.83 175.91 1a4j n ASN 33 N -2.50 0.42 0.00 4.97 6.94 -1.26 -4.96 115.26 118.86 1a4j n ASN 33 Ca 0.00 -0.56 0.00 0.00 -0.02 0.00 0.00 54.58 54.01 1a4j n ASN 33 Cb 0.18 -0.09 0.00 0.00 -2.36 0.00 0.00 39.78 37.51 1a4j n ASN 33 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1a4j n GLY 34 N 1.27 2.78 3.41 4.83 0.00 -0.32 -5.08 105.19 112.08 1a4j n GLY 34 Ca 0.15 -0.78 -0.36 0.00 0.00 0.00 0.00 46.02 45.03 1a4j n GLY 34 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1a4j n ASN 35 N 0.92 -1.85 -4.02 1.61 4.13 -1.26 -4.34 115.26 110.45 1a4j n ASN 35 Ca 0.00 0.52 -0.31 0.00 1.68 0.00 0.00 54.58 56.47 1a4j n ASN 35 Cb 0.00 -1.16 -0.15 0.00 -1.54 0.00 0.00 39.78 36.93 1a4j n ASN 35 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1a4j s THR 36 N -2.01 2.24 -1.34 3.41 2.01 -1.26 -0.95 115.64 117.74 1a4j s THR 36 Ca 0.62 -2.28 -0.16 0.00 0.31 0.00 0.00 61.69 60.17 1a4j s THR 36 Cb -0.32 -2.64 0.07 0.00 0.01 0.00 0.00 72.50 69.62 1a4j s THR 36 CO 0.62 -0.56 1.88 -1.22 -0.69 0.00 0.00 174.62 174.64 1a4j n TYR 37 N 4.28 4.28 -4.08 4.92 4.02 -1.23 -4.01 117.16 125.34 1a4j n TYR 37 Ca 0.03 -2.91 -0.32 0.00 -0.01 0.00 0.00 57.90 54.68 1a4j n TYR 37 Cb 0.42 -2.56 -0.16 0.00 -0.02 0.00 0.00 39.34 37.02 1a4j n TYR 37 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1a4j s LEU 38 N 3.29 2.58 0.27 7.72 1.98 -1.26 -1.33 118.68 131.93 1a4j s LEU 38 Ca 0.51 -0.93 0.11 0.00 -2.89 0.00 0.00 54.13 50.93 1a4j s LEU 38 Cb 0.07 -1.46 -0.05 0.00 0.66 0.00 0.00 46.19 45.41 1a4j s LEU 38 CO 0.02 -0.09 -0.15 -1.00 -1.89 0.00 0.00 176.35 173.24 1a4j s HIS 39 N 1.25 2.40 -0.07 5.38 3.76 0.88 0.31 115.29 129.21 1a4j s HIS 39 Ca -0.01 -0.30 0.03 0.00 -0.15 0.00 0.00 55.06 54.63 1a4j s HIS 39 Cb -0.16 -1.05 0.01 0.00 1.11 0.00 0.00 32.58 32.49 1a4j s HIS 39 CO -0.10 0.69 -0.16 -1.58 -0.85 0.00 0.00 174.74 172.74 1a4j s TRP 40 N -2.43 1.76 0.18 1.40 0.52 0.63 0.45 118.94 121.46 1a4j s TRP 40 Ca 0.30 -0.63 0.08 0.00 0.02 0.00 0.00 56.10 55.87 1a4j s TRP 40 Cb -0.05 -1.23 -0.04 0.00 -1.15 0.00 0.00 33.47 30.99 1a4j s TRP 40 CO 0.16 -0.28 -0.16 0.71 0.02 0.00 0.00 176.95 177.40 1a4j s TYR 41 N 0.42 1.76 -0.05 -1.98 1.51 0.17 -0.37 117.35 118.81 1a4j s TYR 41 Ca -0.13 -0.51 0.04 0.00 -1.01 0.00 0.00 57.07 55.46 1a4j s TYR 41 Cb -0.15 -0.85 0.00 0.00 -0.11 0.00 0.00 41.96 40.85 1a4j s TYR 41 CO 0.04 0.34 -0.16 -1.17 -1.11 0.00 0.00 175.55 173.50 1a4j s LEU 42 N -2.96 1.87 -0.14 -1.29 2.96 -0.38 -0.26 118.68 118.48 1a4j s LEU 42 Ca 0.19 -0.34 0.01 0.00 -0.22 0.00 0.00 54.13 53.76 1a4j s LEU 42 Cb -0.04 -0.94 0.02 0.00 0.50 0.00 0.00 46.19 45.73 1a4j s LEU 42 CO 0.07 0.13 -0.17 -1.58 -1.32 0.00 0.00 176.35 173.48 1a4j s GLN 43 N 0.18 2.51 0.07 1.98 0.74 0.19 -0.27 119.66 125.05 1a4j s GLN 43 Ca -0.07 -0.65 0.01 0.00 0.05 0.00 0.00 55.36 54.70 1a4j s GLN 43 Cb -0.12 -2.18 -0.04 0.00 1.10 0.00 0.00 33.01 31.77 1a4j s GLN 43 CO 0.03 -0.15 0.19 0.15 -0.55 0.00 0.00 175.29 174.96 1a4j s LYS 44 N 1.22 3.35 0.02 1.67 1.02 -1.26 -0.84 119.74 124.92 1a4j s LYS 44 Ca 0.00 -0.49 -0.39 0.00 0.02 0.00 0.00 55.97 55.11 1a4j s LYS 44 Cb -0.14 -2.98 -0.19 0.00 -0.52 0.00 0.00 37.83 33.99 1a4j s LYS 44 CO -0.07 0.60 1.12 -0.35 -0.92 0.00 0.00 175.35 175.73 1a4j n PRO 45 N 0.26 0.23 0.00 -1.68 -0.04 -1.26 -0.37 135.00 132.14 1a4j n PRO 45 Ca -0.06 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1a4j n PRO 45 Cb 0.51 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 1a4j n PRO 45 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1a4j n GLY 46 N 1.70 2.35 3.95 0.55 0.00 -1.26 -4.99 105.19 107.50 1a4j n GLY 46 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 1a4j n GLY 46 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a4j s GLN 47 N 0.00 3.02 0.43 1.61 -0.21 0.50 -5.11 119.66 119.90 1a4j s GLN 47 Ca 0.00 -1.08 -0.09 0.00 0.02 0.00 0.00 55.36 54.21 1a4j s GLN 47 Cb 0.00 -2.73 -0.06 0.00 1.00 0.00 0.00 33.01 31.22 1a4j s GLN 47 CO 0.00 0.09 0.78 -1.54 -2.12 0.00 0.00 175.29 172.50 1a4j s SER 48 N -4.12 6.45 0.71 5.90 1.04 -1.26 -4.53 113.70 117.89 1a4j s SER 48 Ca 0.43 1.09 -0.16 0.00 0.48 0.00 0.00 55.95 57.79 1a4j s SER 48 Cb -0.08 -2.31 0.03 0.00 0.10 0.00 0.00 66.02 63.76 1a4j s SER 48 CO 0.30 -0.46 1.26 -2.84 0.98 0.00 0.00 173.24 172.48 1a4j s PRO 49 N -4.11 2.16 -0.07 4.02 0.02 -1.26 -4.59 135.00 131.17 1a4j s PRO 49 Ca 0.50 1.95 0.02 0.00 0.02 0.00 0.00 61.00 63.50 1a4j s PRO 49 Cb -0.10 -1.81 0.01 0.00 0.02 0.00 0.00 34.50 32.62 1a4j s PRO 49 CO 0.35 -1.87 -0.13 0.15 -0.33 0.00 0.00 177.00 175.17 1a4j s LYS 50 N -3.68 1.77 0.11 5.54 3.01 0.62 -4.92 119.74 122.19 1a4j s LYS 50 Ca 0.79 -0.44 -0.31 0.00 -1.01 0.00 0.00 55.97 54.99 1a4j s LYS 50 Cb -0.34 -1.45 -0.08 0.00 -1.01 0.00 0.00 37.83 34.94 1a4j s LYS 50 CO 0.44 0.04 1.44 -1.17 0.51 0.00 0.00 175.35 176.61 1a4j s LEU 51 N 0.62 4.37 -0.03 3.17 2.96 -1.26 -1.25 118.68 127.25 1a4j s LEU 51 Ca -0.14 2.38 -0.06 0.00 -0.22 0.00 0.00 54.13 56.08 1a4j s LEU 51 Cb -0.16 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.92 1a4j s LEU 51 CO 0.04 -0.70 -0.13 0.18 -1.32 0.00 0.00 176.35 174.42 1a4j n LEU 52 N 4.13 1.20 -4.17 -0.68 4.77 0.51 -4.76 117.00 118.00 1a4j n LEU 52 Ca 0.12 0.18 -0.23 0.00 -0.03 0.00 0.00 56.01 56.05 1a4j n LEU 52 Cb 0.42 -0.43 -0.15 0.00 -2.33 0.00 0.00 43.42 40.93 1a4j n LEU 52 CO 0.59 -0.33 -0.49 -0.63 -1.33 0.00 0.00 177.39 175.20 1a4j s ILE 53 N -2.29 1.34 0.07 -0.08 -1.09 -0.91 -0.97 121.20 117.28 1a4j s ILE 53 Ca -0.12 -0.88 0.04 0.00 -2.23 0.00 0.00 60.65 57.46 1a4j s ILE 53 Cb 0.03 -1.15 -0.03 0.00 -1.58 0.00 0.00 42.46 39.73 1a4j s ILE 53 CO 0.16 0.25 -0.12 -0.72 -1.23 0.00 0.00 174.94 173.29 1a4j s TYR 54 N -0.58 1.05 -1.28 3.97 -0.85 0.92 -0.27 117.35 120.31 1a4j s TYR 54 Ca 0.06 -0.52 -0.09 0.00 -0.52 0.00 0.00 57.07 56.00 1a4j s TYR 54 Cb -0.07 -0.59 -0.00 0.00 0.38 0.00 0.00 41.96 41.67 1a4j s TYR 54 CO 0.00 0.01 0.62 1.63 -1.52 0.00 0.00 175.55 176.30 1a4j n LYS 55 N 1.13 -2.71 0.00 -3.49 4.76 -1.00 -1.39 118.16 115.45 1a4j n LYS 55 Ca -0.20 0.47 0.00 0.00 -2.87 0.00 0.00 58.31 55.70 1a4j n LYS 55 Cb 0.55 -4.48 0.00 0.00 -1.84 0.00 0.00 35.03 29.26 1a4j n LYS 55 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1a4j n VAL 56 N -4.28 0.00 -0.62 -0.18 0.31 0.15 -4.04 118.33 109.66 1a4j n VAL 56 Ca -0.22 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 1a4j n VAL 56 Cb 0.65 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.58 1a4j n VAL 56 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1a4j n SER 57 N 1.79 0.64 -4.65 4.52 3.41 -1.22 -3.53 113.62 114.56 1a4j n SER 57 Ca 0.00 -1.26 -0.39 0.00 -0.26 0.00 0.00 58.87 56.96 1a4j n SER 57 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1a4j n SER 57 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1a4j s ASN 58 N -0.26 6.56 -0.05 4.04 0.01 -0.49 -4.64 114.94 120.11 1a4j s ASN 58 Ca 0.00 0.67 -0.25 0.00 -0.71 0.00 0.00 52.86 52.57 1a4j s ASN 58 Cb 0.00 -2.30 -0.04 0.00 0.41 0.00 0.00 41.25 39.33 1a4j s ASN 58 CO 0.00 -0.21 0.76 -0.13 -1.51 0.00 0.00 177.10 176.01 1a4j s ARG 59 N 1.78 4.46 0.68 -0.60 0.52 -1.26 -0.06 118.95 124.47 1a4j s ARG 59 Ca 0.24 1.00 -0.15 0.00 -0.52 0.00 0.00 55.73 56.30 1a4j s ARG 59 Cb -0.15 -3.45 0.01 0.00 0.52 0.00 0.00 34.95 31.88 1a4j s ARG 59 CO 0.10 0.04 1.15 0.12 0.02 0.00 0.00 175.30 176.72 1a4j s PHE 60 N 0.85 2.41 0.10 -0.53 5.36 -0.14 -4.90 117.98 121.13 1a4j s PHE 60 Ca 0.41 1.57 -0.35 0.00 -0.96 0.00 0.00 56.93 57.60 1a4j s PHE 60 Cb -0.18 -3.29 -0.14 0.00 -0.34 0.00 0.00 43.02 39.06 1a4j s PHE 60 CO 0.20 -2.02 1.56 -1.13 -1.46 0.00 0.00 175.22 172.37 1a4j n SER 61 N -2.46 2.76 0.00 6.13 3.41 -1.26 -1.64 113.62 120.56 1a4j n SER 61 Ca 0.12 1.08 0.00 0.00 -0.26 0.00 0.00 58.87 59.80 1a4j n SER 61 Cb 0.51 -1.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.11 1a4j n SER 61 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a4j n GLY 62 N 3.34 1.13 3.68 5.00 0.00 -1.26 -5.04 105.19 112.03 1a4j n GLY 62 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1a4j n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a4j s VAL 63 N -2.51 4.75 0.28 1.61 1.01 -0.65 -5.00 120.40 119.88 1a4j s VAL 63 Ca 0.00 2.01 -0.29 0.00 0.00 0.00 0.00 61.98 63.70 1a4j s VAL 63 Cb 0.00 -4.30 -0.14 0.00 0.00 0.00 0.00 36.38 31.94 1a4j s VAL 63 CO 0.00 -0.07 1.14 -2.65 0.00 0.00 0.00 175.10 173.52 1a4j n PRO 64 N 5.53 1.58 0.00 2.72 -0.02 -1.26 -4.86 135.00 138.69 1a4j n PRO 64 Ca 0.10 0.55 0.07 0.00 -2.02 0.00 0.00 63.50 62.21 1a4j n PRO 64 Cb 0.48 -2.02 0.44 0.00 -0.02 0.00 0.00 33.50 32.38 1a4j n PRO 64 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1a4j n ASP 65 N 1.34 0.00 0.10 2.55 5.75 -1.26 -2.03 116.55 122.99 1a4j n ASP 65 Ca 0.09 -0.49 0.12 0.00 -0.01 0.00 0.00 54.79 54.51 1a4j n ASP 65 Cb 0.32 0.00 0.45 0.00 -1.03 0.00 0.00 41.12 40.86 1a4j n ASP 65 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1a4j n ARG 66 N -0.99 0.19 -3.27 0.11 1.85 -1.26 -4.64 116.66 108.65 1a4j n ARG 66 Ca 0.11 0.28 -0.39 0.00 -1.00 0.00 0.00 57.85 56.85 1a4j n ARG 66 Cb 0.05 -1.78 -0.06 0.00 -1.05 0.00 0.00 32.46 29.62 1a4j n ARG 66 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1a4j s PHE 67 N -3.17 3.44 0.01 2.89 0.08 -0.86 -1.32 117.98 119.04 1a4j s PHE 67 Ca 0.08 0.83 -0.05 0.00 0.12 0.00 0.00 56.93 57.91 1a4j s PHE 67 Cb 0.12 -2.62 -0.00 0.00 -0.57 0.00 0.00 43.02 39.94 1a4j s PHE 67 CO 0.49 0.02 0.09 -1.54 -0.10 0.00 0.00 175.22 174.17 1a4j s SER 68 N 0.92 0.09 0.05 1.36 1.04 -0.24 -4.97 113.70 111.95 1a4j s SER 68 Ca 0.25 -0.28 0.05 0.00 0.48 0.00 0.00 55.95 56.45 1a4j s SER 68 Cb -0.15 0.17 -0.02 0.00 0.10 0.00 0.00 66.02 66.12 1a4j s SER 68 CO 0.10 -0.34 -0.14 -0.83 0.98 0.00 0.00 173.24 173.01 1a4j s GLY 69 N -1.36 0.80 0.12 7.32 0.00 -1.26 -0.27 107.32 112.68 1a4j s GLY 69 Ca -0.15 -0.88 -0.05 0.00 0.00 0.00 0.00 44.72 43.64 1a4j s GLY 69 CO 0.01 -0.88 0.15 -1.35 0.00 0.00 0.00 173.10 171.03 1a4j s SER 70 N -1.36 0.21 0.00 1.64 1.04 0.03 -4.13 113.70 111.13 1a4j s SER 70 Ca -0.00 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.47 1a4j s SER 70 Cb -0.09 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.37 1a4j s SER 70 CO 0.02 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.08 1a4j n GLY 71 N -0.10 3.66 0.03 7.32 0.00 -1.26 0.48 105.19 115.32 1a4j n GLY 71 Ca -0.09 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1a4j n GLY 71 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1a4j n SER 72 N 0.00 0.00 0.00 1.61 7.64 -0.79 -4.97 113.62 117.11 1a4j n SER 72 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1a4j n SER 72 Cb 0.00 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 1a4j n SER 72 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a4j n GLY 73 N 1.77 -0.08 0.08 0.23 0.00 -1.26 -4.83 105.19 101.10 1a4j n GLY 73 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 1a4j n GLY 73 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1a4j n THR 74 N -2.01 1.05 -4.87 2.61 5.66 -1.26 -0.84 114.28 114.62 1a4j n THR 74 Ca 0.00 -0.70 -0.30 0.00 -3.05 0.00 0.00 64.05 60.00 1a4j n THR 74 Cb 0.00 -0.48 -0.14 0.00 -1.55 0.00 0.00 70.33 68.16 1a4j n THR 74 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1a4j s ASP 75 N -5.00 3.29 0.03 1.09 1.11 -1.26 0.67 116.67 116.58 1a4j s ASP 75 Ca -0.08 -0.56 -0.09 0.00 0.18 0.00 0.00 52.55 52.00 1a4j s ASP 75 Cb 0.06 -0.35 0.00 0.00 1.07 0.00 0.00 42.92 43.70 1a4j s ASP 75 CO 0.71 0.26 0.18 -0.36 1.18 0.00 0.00 175.17 177.14 1a4j s PHE 76 N -0.82 0.04 -0.01 4.23 0.40 0.16 -1.89 117.98 120.09 1a4j s PHE 76 Ca 0.12 -0.21 0.01 0.00 -0.60 0.00 0.00 56.93 56.25 1a4j s PHE 76 Cb -0.10 -0.03 0.00 0.00 0.51 0.00 0.00 43.02 43.40 1a4j s PHE 76 CO 0.03 -0.39 -0.03 0.99 0.70 0.00 0.00 175.22 176.52 1a4j s THR 77 N -2.17 0.23 -0.09 0.64 2.01 0.18 -1.14 115.64 115.29 1a4j s THR 77 Ca -0.08 -0.10 0.01 0.00 0.31 0.00 0.00 61.69 61.83 1a4j s THR 77 Cb -0.03 -0.21 -0.02 0.00 0.01 0.00 0.00 72.50 72.25 1a4j s THR 77 CO -0.02 0.08 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.66 1a4j s LEU 78 N 0.06 2.88 0.02 4.42 2.96 -0.03 -0.79 118.68 128.19 1a4j s LEU 78 Ca -0.00 -0.19 0.05 0.00 -0.22 0.00 0.00 54.13 53.77 1a4j s LEU 78 Cb -0.03 -1.63 -0.02 0.00 0.50 0.00 0.00 46.19 45.02 1a4j s LEU 78 CO -0.00 0.28 -0.15 -0.54 -1.32 0.00 0.00 176.35 174.62 1a4j s LYS 79 N -0.33 1.10 -0.24 1.98 1.02 0.63 -0.27 119.74 123.65 1a4j s LYS 79 Ca 0.04 -0.66 0.01 0.00 0.02 0.00 0.00 55.97 55.37 1a4j s LYS 79 Cb -0.13 -1.10 0.06 0.00 -0.52 0.00 0.00 37.83 36.14 1a4j s LYS 79 CO 0.02 0.29 -0.05 0.42 -0.92 0.00 0.00 175.35 175.11 1a4j s ILE 80 N -0.60 1.55 0.21 2.17 1.01 0.15 -1.08 121.20 124.62 1a4j s ILE 80 Ca 0.04 -1.25 -0.30 0.00 0.00 0.00 0.00 60.65 59.14 1a4j s ILE 80 Cb -0.07 -1.82 -0.08 0.00 0.01 0.00 0.00 42.46 40.50 1a4j s ILE 80 CO 0.00 -0.11 1.01 -0.55 0.00 0.00 0.00 174.94 175.30 1a4j s SER 81 N 1.38 7.46 -0.09 3.58 0.15 -0.44 -0.13 113.70 125.61 1a4j s SER 81 Ca -0.06 2.03 -0.03 0.00 0.70 0.00 0.00 55.95 58.59 1a4j s SER 81 Cb -0.19 -2.61 0.01 0.00 -1.71 0.00 0.00 66.02 61.53 1a4j s SER 81 CO -0.06 -0.03 0.07 0.54 1.20 0.00 0.00 173.24 174.96 1a4j n ARG 82 N 1.84 -2.29 -2.64 5.44 1.74 -0.90 -4.82 116.66 115.02 1a4j n ARG 82 Ca -0.00 1.96 -0.41 0.00 -0.77 0.00 0.00 57.85 58.64 1a4j n ARG 82 Cb 0.47 -2.62 -0.05 0.00 -1.02 0.00 0.00 32.46 29.24 1a4j n ARG 82 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1a4j s VAL 83 N -0.60 4.12 0.27 1.55 1.01 0.30 -4.75 120.40 122.30 1a4j s VAL 83 Ca -0.08 1.88 0.09 0.00 0.00 0.00 0.00 61.98 63.87 1a4j s VAL 83 Cb 0.01 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 1a4j s VAL 83 CO 0.32 0.35 0.01 -1.61 0.00 0.00 0.00 175.10 174.17 1a4j s GLU 84 N -0.49 2.30 0.28 2.72 0.41 -1.26 -0.47 118.70 122.19 1a4j s GLU 84 Ca 0.46 -1.43 0.02 0.00 -0.41 0.00 0.00 54.97 53.61 1a4j s GLU 84 Cb -0.27 -2.16 0.62 0.00 -1.78 0.00 0.00 34.13 30.54 1a4j s GLU 84 CO 0.33 0.34 1.79 0.00 -0.49 0.00 0.00 175.26 177.23 1a4j h ALA 85 N 1.86 1.49 0.00 5.21 0.00 -2.00 -0.16 119.26 125.66 1a4j h ALA 85 Ca -0.44 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1a4j h ALA 85 Cb 1.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1a4j h ALA 85 CO 0.61 0.01 0.00 -0.85 0.00 0.00 0.00 179.25 179.02 1a4j n GLU 86 N -4.76 0.19 0.00 0.00 0.28 -1.26 -2.53 120.64 112.56 1a4j n GLU 86 Ca 0.20 0.13 0.13 0.00 -0.16 0.00 0.00 57.16 57.47 1a4j n GLU 86 Cb 0.47 -1.50 0.42 0.00 1.43 0.00 0.00 31.44 32.25 1a4j n GLU 86 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1a4j n ASP 87 N -1.34 0.86 -4.68 -1.84 8.00 -0.07 -4.90 116.55 112.57 1a4j n ASP 87 Ca 0.08 -0.76 -0.42 0.00 0.71 0.00 0.00 54.79 54.39 1a4j n ASP 87 Cb 0.16 0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.33 1a4j n ASP 87 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1a4j s LEU 88 N -2.54 4.26 0.00 0.64 1.43 -1.05 -4.89 118.68 116.52 1a4j s LEU 88 Ca 0.24 1.73 0.00 0.00 -1.03 0.00 0.00 54.13 55.07 1a4j s LEU 88 Cb 0.19 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.86 1a4j s LEU 88 CO 0.53 -0.58 0.00 0.61 0.23 0.00 0.00 176.35 177.14 1a4j n GLY 89 N 3.33 -0.61 3.37 -3.19 0.00 -1.23 -4.82 105.19 102.05 1a4j n GLY 89 Ca 0.11 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 1a4j n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a4j s VAL 90 N -3.81 3.14 -0.18 1.61 1.01 -0.02 -0.94 120.40 121.22 1a4j s VAL 90 Ca 0.00 -0.62 -0.08 0.00 0.00 0.00 0.00 61.98 61.28 1a4j s VAL 90 Cb 0.00 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1a4j s VAL 90 CO 0.00 0.51 0.11 -0.31 0.00 0.00 0.00 175.10 175.40 1a4j s TYR 91 N 0.54 3.39 -0.06 5.22 1.51 0.54 0.57 117.35 129.05 1a4j s TYR 91 Ca -0.07 0.29 0.06 0.00 -1.01 0.00 0.00 57.07 56.33 1a4j s TYR 91 Cb -0.15 -2.08 -0.01 0.00 -0.11 0.00 0.00 41.96 39.61 1a4j s TYR 91 CO 0.04 0.34 -0.23 -0.06 -1.11 0.00 0.00 175.55 174.52 1a4j s PHE 92 N 0.06 2.29 0.25 2.71 0.08 0.64 -0.54 117.98 123.47 1a4j s PHE 92 Ca 0.08 -0.71 0.01 0.00 0.12 0.00 0.00 56.93 56.44 1a4j s PHE 92 Cb -0.12 -1.51 -0.04 0.00 -0.57 0.00 0.00 43.02 40.78 1a4j s PHE 92 CO -0.00 -0.23 0.42 0.00 -0.10 0.00 0.00 175.22 175.31 1a4j s SER 94 N -3.61 -0.33 -0.06 0.00 0.15 0.17 -0.62 113.70 109.41 1a4j s SER 94 Ca 0.37 0.55 0.03 0.00 0.70 0.00 0.00 55.95 57.61 1a4j s SER 94 Cb -0.10 0.62 -0.02 0.00 -1.71 0.00 0.00 66.02 64.80 1a4j s SER 94 CO 0.31 -0.23 -0.15 -1.58 1.20 0.00 0.00 173.24 172.79 1a4j s GLN 95 N -0.28 2.57 -0.06 5.44 -0.44 -0.17 -0.08 119.66 126.63 1a4j s GLN 95 Ca -0.04 -0.71 0.09 0.00 -2.50 0.00 0.00 55.36 52.20 1a4j s GLN 95 Cb -0.03 -2.38 0.14 0.00 -1.64 0.00 0.00 33.01 29.09 1a4j s GLN 95 CO 0.02 0.58 1.04 0.45 0.50 0.00 0.00 175.29 177.88 1a4j n SER 96 N 2.44 1.26 0.00 6.67 2.88 -0.44 -2.31 113.62 124.11 1a4j n SER 96 Ca -0.17 -2.46 -0.20 0.00 -1.33 0.00 0.00 58.87 54.71 1a4j n SER 96 Cb 0.52 -0.28 -0.14 0.00 -0.75 0.00 0.00 64.21 63.56 1a4j n SER 96 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1a4j h THR 97 N 2.95 1.22 -3.01 2.46 2.02 -1.87 -3.47 112.91 113.21 1a4j h THR 97 Ca 0.00 -2.41 -0.55 0.00 0.77 0.00 0.00 66.41 64.22 1a4j h THR 97 Cb 1.12 2.86 -0.02 0.00 -1.74 0.00 0.00 68.15 70.37 1a4j h THR 97 CO 0.00 0.66 -0.30 -1.00 0.37 0.00 0.00 175.52 175.24 1a4j s HIS 98 N -2.43 3.48 0.00 3.16 3.76 -1.26 -4.96 115.29 117.04 1a4j s HIS 98 Ca -0.19 0.45 0.00 0.00 -0.15 0.00 0.00 55.06 55.17 1a4j s HIS 98 Cb 0.03 -1.94 0.00 0.00 1.11 0.00 0.00 32.58 31.78 1a4j s HIS 98 CO 0.76 0.38 0.00 0.28 -0.85 0.00 0.00 174.74 175.30 1a4j n VAL 99 N -0.41 0.00 -3.69 -0.90 0.31 -1.26 -3.64 118.33 108.74 1a4j n VAL 99 Ca -0.03 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.93 1a4j n VAL 99 Cb 0.53 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.36 1a4j n VAL 99 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1a4j s PRO 100 N -0.33 4.05 0.14 5.55 0.04 -1.26 -5.04 135.00 138.15 1a4j s PRO 100 Ca 0.00 -0.28 -0.31 0.00 0.04 0.00 0.00 61.00 60.45 1a4j s PRO 100 Cb 0.00 -3.50 -0.11 0.00 0.04 0.00 0.00 34.50 30.93 1a4j s PRO 100 CO 0.00 0.07 1.83 -1.25 0.04 0.00 0.00 177.00 177.69 1a4j s PRO 101 N 1.02 4.13 0.25 0.56 0.04 -1.24 -4.76 135.00 135.00 1a4j s PRO 101 Ca 0.07 2.62 0.10 0.00 0.04 0.00 0.00 61.00 63.84 1a4j s PRO 101 Cb -0.13 -3.52 -0.05 0.00 0.04 0.00 0.00 34.50 30.84 1a4j s PRO 101 CO 0.04 -0.84 -0.18 0.95 0.04 0.00 0.00 177.00 177.01 1a4j s THR 102 N 2.52 2.19 0.12 1.26 -4.23 -0.98 -4.97 115.64 111.56 1a4j s THR 102 Ca 0.81 -2.33 0.08 0.00 -1.18 0.00 0.00 61.69 59.07 1a4j s THR 102 Cb -0.47 -2.20 -0.04 0.00 1.34 0.00 0.00 72.50 71.13 1a4j s THR 102 CO 0.36 -0.47 -0.15 -0.36 -0.54 0.00 0.00 174.62 173.46 1a4j s PHE 103 N -2.67 2.60 0.99 3.99 0.40 -1.26 -1.00 117.98 121.03 1a4j s PHE 103 Ca 0.27 -0.23 -0.15 0.00 -0.60 0.00 0.00 56.93 56.22 1a4j s PHE 103 Cb -0.03 -1.36 0.19 0.00 0.51 0.00 0.00 43.02 42.32 1a4j s PHE 103 CO 0.12 0.41 1.19 0.20 0.70 0.00 0.00 175.22 177.84 1a4j s GLY 104 N -2.24 1.65 0.00 4.36 0.00 0.21 -4.62 107.32 106.68 1a4j s GLY 104 Ca 0.20 -0.86 0.23 0.00 0.00 0.00 0.00 44.72 44.29 1a4j s GLY 104 CO 0.12 -0.16 1.76 0.61 0.00 0.00 0.00 173.10 175.43 1a4j n GLY 105 N -2.49 -1.22 0.00 0.20 0.00 -1.25 -4.70 105.19 95.72 1a4j n GLY 105 Ca 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1a4j n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a4j n GLY 106 N 0.84 0.19 3.07 -0.02 0.00 -1.25 -5.04 105.19 102.97 1a4j n GLY 106 Ca 0.07 -1.44 -0.28 0.00 0.00 0.00 0.00 46.02 44.37 1a4j n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a4j s THR 107 N -1.62 1.53 -0.31 2.61 2.01 0.30 -4.74 115.64 115.41 1a4j s THR 107 Ca 0.00 -0.67 -0.17 0.00 0.31 0.00 0.00 61.69 61.15 1a4j s THR 107 Cb 0.00 -1.38 -0.02 0.00 0.01 0.00 0.00 72.50 71.11 1a4j s THR 107 CO 0.00 0.45 0.48 -0.75 -0.69 0.00 0.00 174.62 174.11 1a4j s LYS 108 N 0.86 3.80 -0.22 4.92 2.36 -0.42 -0.34 119.74 130.70 1a4j s LYS 108 Ca -0.09 -0.02 -0.19 0.00 -2.55 0.00 0.00 55.97 53.12 1a4j s LYS 108 Cb -0.15 -3.74 -0.03 0.00 -1.05 0.00 0.00 37.83 32.85 1a4j s LYS 108 CO 0.00 -0.50 0.55 -1.17 1.55 0.00 0.00 175.35 175.78 1a4j s LEU 109 N 2.30 4.11 0.35 5.43 2.96 -0.11 0.64 118.68 134.36 1a4j s LEU 109 Ca 0.18 0.68 0.03 0.00 -0.22 0.00 0.00 54.13 54.80 1a4j s LEU 109 Cb -0.16 -2.75 -0.04 0.00 0.50 0.00 0.00 46.19 43.74 1a4j s LEU 109 CO 0.12 -0.24 0.12 -1.83 -1.32 0.00 0.00 176.35 173.19 1a4j s GLU 110 N 1.94 1.73 -0.17 1.98 -1.05 -0.40 -3.48 118.70 119.26 1a4j s GLU 110 Ca 0.25 -2.01 -0.22 0.00 -0.15 0.00 0.00 54.97 52.83 1a4j s GLU 110 Cb -0.16 -0.51 -0.02 0.00 -0.44 0.00 0.00 34.13 33.00 1a4j s GLU 110 CO 0.09 -0.39 0.69 0.42 0.95 0.00 0.00 175.26 177.03 1a4j s ILE 111 N -3.38 4.99 -0.00 1.83 -1.09 -1.26 -0.38 121.20 121.91 1a4j s ILE 111 Ca 0.31 1.34 -0.24 0.00 -2.23 0.00 0.00 60.65 59.83 1a4j s ILE 111 Cb 0.05 -4.01 -0.05 0.00 -1.58 0.00 0.00 42.46 36.88 1a4j s ILE 111 CO 0.15 0.12 0.74 -0.75 -1.23 0.00 0.00 174.94 173.97 1a4j s LYS 112 N 1.77 4.46 0.00 2.79 2.47 0.12 -4.70 119.74 126.65 1a4j s LYS 112 Ca 0.32 0.99 0.00 0.00 -1.56 0.00 0.00 55.97 55.73 1a4j s LYS 112 Cb -0.16 -3.40 0.00 0.00 -1.46 0.00 0.00 37.83 32.81 1a4j s LYS 112 CO 0.12 0.19 0.00 2.89 0.16 0.00 0.00 175.35 178.71 1a4j n ARG 113 N 3.22 0.18 -3.43 4.03 -4.01 -1.26 -4.70 116.66 110.68 1a4j n ARG 113 Ca -0.02 0.00 -0.33 0.00 -1.04 0.00 0.00 57.85 56.46 1a4j n ARG 113 Cb 0.51 0.00 -0.05 0.00 -3.04 0.00 0.00 32.46 29.87 1a4j n ARG 113 CO 0.00 0.00 0.00 0.95 -3.04 0.00 0.00 177.63 175.54 1a4j s THR 114 N -1.29 4.94 0.15 8.89 -4.23 -1.26 -5.01 115.64 117.84 1a4j s THR 114 Ca 0.00 0.55 -0.34 0.00 -1.18 0.00 0.00 61.69 60.72 1a4j s THR 114 Cb 0.00 -3.66 -0.15 0.00 1.34 0.00 0.00 72.50 70.04 1a4j s THR 114 CO 0.00 0.07 1.44 0.52 -0.54 0.00 0.00 174.62 176.11 1a4j n VAL 115 N 0.29 0.26 -3.82 2.29 0.31 -1.26 -4.76 118.33 111.63 1a4j n VAL 115 Ca -0.02 -0.06 -0.24 0.00 -0.01 0.00 0.00 64.34 64.00 1a4j n VAL 115 Cb 0.52 -1.24 -0.17 0.00 -0.91 0.00 0.00 33.84 32.03 1a4j n VAL 115 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1a4j s ALA 116 N 0.50 0.91 0.45 3.52 0.00 0.13 -4.92 121.76 122.36 1a4j s ALA 116 Ca 0.78 -0.27 -0.22 0.00 0.00 0.00 0.00 51.96 52.26 1a4j s ALA 116 Cb -0.77 -0.80 -0.09 0.00 0.00 0.00 0.00 23.12 21.46 1a4j s ALA 116 CO 0.44 -0.44 1.04 0.00 0.00 0.00 0.00 175.76 176.80 1a4j s ALA 117 N 1.88 2.95 0.66 0.00 0.00 -1.26 -0.49 121.76 125.51 1a4j s ALA 117 Ca 0.05 0.64 -0.12 0.00 0.00 0.00 0.00 51.96 52.52 1a4j s ALA 117 Cb -0.12 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 1a4j s ALA 117 CO -0.06 -0.26 1.06 -1.25 0.00 0.00 0.00 175.76 175.24 1a4j s PRO 118 N -2.96 3.06 -0.27 0.00 0.04 -1.26 -4.64 135.00 128.98 1a4j s PRO 118 Ca 0.64 1.02 -0.10 0.00 0.04 0.00 0.00 61.00 62.59 1a4j s PRO 118 Cb -0.18 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 1a4j s PRO 118 CO 0.22 -1.00 0.16 -1.12 0.04 0.00 0.00 177.00 175.31 1a4j s SER 119 N -3.52 5.88 -0.24 6.66 0.01 -0.90 -4.85 113.70 116.74 1a4j s SER 119 Ca 0.59 -0.03 -0.11 0.00 1.31 0.00 0.00 55.95 57.72 1a4j s SER 119 Cb -0.14 -2.08 -0.05 0.00 0.21 0.00 0.00 66.02 63.95 1a4j s SER 119 CO 0.50 -0.03 0.16 -0.69 0.41 0.00 0.00 173.24 173.59 1a4j s VAL 120 N 1.63 5.36 -0.02 3.43 1.01 -1.26 -0.79 120.40 129.75 1a4j s VAL 120 Ca 0.07 0.19 0.06 0.00 0.00 0.00 0.00 61.98 62.29 1a4j s VAL 120 Cb -0.15 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 1a4j s VAL 120 CO 0.09 0.35 -0.20 -0.36 0.00 0.00 0.00 175.10 174.98 1a4j s PHE 121 N 1.01 1.80 -0.04 5.22 0.08 -0.13 -4.96 117.98 120.96 1a4j s PHE 121 Ca 0.08 -0.40 0.07 0.00 0.12 0.00 0.00 56.93 56.80 1a4j s PHE 121 Cb -0.13 -1.18 -0.02 0.00 -0.57 0.00 0.00 43.02 41.13 1a4j s PHE 121 CO 0.04 -0.08 -0.25 -1.50 -0.10 0.00 0.00 175.22 173.34 1a4j s ILE 122 N -0.32 2.12 -0.09 0.64 2.07 -1.26 0.62 121.20 124.98 1a4j s ILE 122 Ca 0.04 -1.06 0.03 0.00 -1.41 0.00 0.00 60.65 58.25 1a4j s ILE 122 Cb -0.09 -1.75 0.01 0.00 0.13 0.00 0.00 42.46 40.76 1a4j s ILE 122 CO 0.00 0.58 -0.17 -0.36 -1.91 0.00 0.00 174.94 173.08 1a4j s PHE 123 N -0.39 1.94 0.74 3.50 0.40 0.12 -4.99 117.98 119.30 1a4j s PHE 123 Ca 0.03 -0.81 -0.10 0.00 -0.60 0.00 0.00 56.93 55.46 1a4j s PHE 123 Cb -0.12 -1.36 0.06 0.00 0.51 0.00 0.00 43.02 42.10 1a4j s PHE 123 CO 0.01 -0.38 1.10 -2.14 0.70 0.00 0.00 175.22 174.51 1a4j s PRO 124 N 0.67 2.27 0.69 0.24 0.02 -1.26 -1.11 135.00 136.52 1a4j s PRO 124 Ca -0.13 0.06 -0.14 0.00 0.02 0.00 0.00 61.00 60.81 1a4j s PRO 124 Cb -0.16 -2.05 0.01 0.00 0.02 0.00 0.00 34.50 32.32 1a4j s PRO 124 CO 0.04 -1.32 1.10 -1.25 -0.33 0.00 0.00 177.00 175.24 1a4j s PRO 125 N -5.40 2.69 0.43 5.54 0.04 -1.12 -4.83 135.00 132.35 1a4j s PRO 125 Ca 0.60 1.30 -0.08 0.00 0.04 0.00 0.00 61.00 62.87 1a4j s PRO 125 Cb -0.11 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 1a4j s PRO 125 CO 0.48 -1.33 0.76 -1.54 0.04 0.00 0.00 177.00 175.41 1a4j s SER 126 N -2.86 6.40 0.23 6.66 1.04 -1.26 -4.92 113.70 118.99 1a4j s SER 126 Ca 0.65 1.00 -0.07 0.00 0.48 0.00 0.00 55.95 58.01 1a4j s SER 126 Cb -0.19 -2.27 0.26 0.00 0.10 0.00 0.00 66.02 63.92 1a4j s SER 126 CO 0.46 -0.46 1.87 0.44 0.98 0.00 0.00 173.24 176.53 1a4j h ASP 127 N 0.86 0.89 -0.73 7.02 3.32 -1.99 -0.64 116.42 125.15 1a4j h ASP 127 Ca -0.47 -0.00 0.05 0.00 0.02 0.00 0.00 57.03 56.63 1a4j h ASP 127 Cb 1.19 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 40.49 1a4j h ASP 127 CO 0.63 0.61 0.44 1.05 -1.72 0.00 0.00 179.24 180.25 1a4j h GLU 128 N 1.05 0.79 0.17 3.56 9.09 -1.98 0.70 114.58 127.95 1a4j h GLU 128 Ca 0.34 -0.05 -0.01 0.00 0.05 0.00 0.00 59.36 59.69 1a4j h GLU 128 Cb 0.02 -0.18 0.00 0.00 -1.65 0.00 0.00 28.75 26.94 1a4j h GLU 128 CO -0.12 0.52 -0.08 0.37 0.05 0.00 0.00 179.01 179.75 1a4j h GLN 129 N 0.81 -0.22 -0.80 1.06 4.15 -1.72 -3.07 115.11 115.33 1a4j h GLN 129 Ca 0.32 0.01 0.19 0.00 0.77 0.00 0.00 58.65 59.94 1a4j h GLN 129 Cb 0.14 0.05 -0.14 0.00 0.21 0.00 0.00 27.48 27.75 1a4j h GLN 129 CO -0.16 0.19 0.06 -0.07 -1.93 0.00 0.00 178.83 176.91 1a4j h LEU 130 N -0.73 -0.28 -0.90 -2.39 3.38 -0.95 1.09 115.31 114.54 1a4j h LEU 130 Ca -0.02 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1a4j h LEU 130 Cb 0.51 0.34 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1a4j h LEU 130 CO 0.04 -0.18 0.29 1.17 0.09 0.00 0.00 178.44 179.85 1a4j n LYS 131 N -5.33 0.09 -0.40 1.13 4.81 0.22 -0.50 118.16 118.18 1a4j n LYS 131 Ca 0.16 0.58 0.08 0.00 -0.87 0.00 0.00 58.31 58.25 1a4j n LYS 131 Cb 0.54 -2.09 0.25 0.00 0.02 0.00 0.00 35.03 33.74 1a4j n LYS 131 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1a4j n SER 132 N -2.07 3.81 0.00 3.14 3.41 0.38 -4.97 113.62 117.32 1a4j n SER 132 Ca -0.01 -2.53 0.00 0.00 -0.26 0.00 0.00 58.87 56.07 1a4j n SER 132 Cb 0.31 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 1a4j n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a4j n GLY 133 N 0.25 1.86 3.72 5.00 0.00 0.35 -5.04 105.19 111.32 1a4j n GLY 133 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 1a4j n GLY 133 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a4j s THR 134 N -2.35 3.87 -0.26 2.61 -4.23 -1.24 -0.25 115.64 113.79 1a4j s THR 134 Ca 0.00 -1.65 -0.03 0.00 -1.18 0.00 0.00 61.69 58.83 1a4j s THR 134 Cb 0.00 -3.06 0.10 0.00 1.34 0.00 0.00 72.50 70.88 1a4j s THR 134 CO 0.00 -0.33 0.18 0.00 -0.54 0.00 0.00 174.62 173.93 1a4j s ALA 135 N -2.17 0.18 -0.18 3.99 0.00 -0.68 -2.93 121.76 119.96 1a4j s ALA 135 Ca 0.31 -0.58 -0.09 0.00 0.00 0.00 0.00 51.96 51.60 1a4j s ALA 135 Cb -0.07 -1.44 -0.05 0.00 0.00 0.00 0.00 23.12 21.56 1a4j s ALA 135 CO 0.22 -1.54 0.12 -1.12 0.00 0.00 0.00 175.76 173.44 1a4j s SER 136 N 2.21 6.13 -0.08 0.00 0.01 -1.26 -2.16 113.70 118.55 1a4j s SER 136 Ca 0.08 0.24 0.03 0.00 1.31 0.00 0.00 55.95 57.61 1a4j s SER 136 Cb -0.15 -2.06 -0.02 0.00 0.21 0.00 0.00 66.02 64.00 1a4j s SER 136 CO -0.28 0.22 -0.18 -0.69 0.41 0.00 0.00 173.24 172.72 1a4j s VAL 137 N 0.12 2.69 -0.10 3.43 1.01 -0.11 -2.80 120.40 124.64 1a4j s VAL 137 Ca 0.08 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.27 1a4j s VAL 137 Cb -0.11 -2.06 -0.00 0.00 0.00 0.00 0.00 36.38 34.21 1a4j s VAL 137 CO -0.01 0.56 -0.24 -0.69 0.00 0.00 0.00 175.10 174.73 1a4j s VAL 138 N -0.17 2.11 -0.18 2.92 1.01 -0.27 -0.30 120.40 125.52 1a4j s VAL 138 Ca -0.02 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 60.93 1a4j s VAL 138 Cb -0.14 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 1a4j s VAL 138 CO 0.03 0.56 -0.07 0.00 0.00 0.00 0.00 175.10 175.63 1a4j s LEU 140 N 0.85 2.70 -0.40 0.00 2.96 0.20 -1.10 118.68 123.90 1a4j s LEU 140 Ca -0.02 -0.44 -0.10 0.00 -0.22 0.00 0.00 54.13 53.36 1a4j s LEU 140 Cb -0.15 -1.66 0.06 0.00 0.50 0.00 0.00 46.19 44.94 1a4j s LEU 140 CO 0.01 0.01 0.23 -0.76 -1.32 0.00 0.00 176.35 174.53 1a4j s LEU 141 N 1.26 4.96 -0.07 -0.68 1.02 0.39 -0.95 118.68 124.60 1a4j s LEU 141 Ca 0.03 -1.29 -0.15 0.00 0.02 0.00 0.00 54.13 52.73 1a4j s LEU 141 Cb -0.14 -2.00 -0.05 0.00 0.02 0.00 0.00 46.19 44.02 1a4j s LEU 141 CO -0.04 -0.47 0.39 0.21 0.02 0.00 0.00 176.35 176.46 1a4j s ASN 142 N 1.89 6.69 -0.56 2.29 2.47 0.02 -1.12 114.94 126.61 1a4j s ASN 142 Ca 0.02 0.81 -0.16 0.00 0.42 0.00 0.00 52.86 53.96 1a4j s ASN 142 Cb -0.21 -2.24 0.02 0.00 -1.45 0.00 0.00 41.25 37.37 1a4j s ASN 142 CO 0.04 0.19 0.54 0.59 -3.72 0.00 0.00 177.10 174.75 1a4j n ASN 143 N 2.70 -4.38 -4.50 -4.21 5.03 -1.08 -2.13 115.26 106.69 1a4j n ASN 143 Ca -0.12 -0.53 -0.24 0.00 0.87 0.00 0.00 54.58 54.57 1a4j n ASN 143 Cb 0.52 -1.37 -0.10 0.00 -1.02 0.00 0.00 39.78 37.81 1a4j n ASN 143 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 1a4j s PHE 144 N -2.11 2.22 -0.27 3.10 -0.71 0.99 -4.62 117.98 116.57 1a4j s PHE 144 Ca 0.15 -0.58 -0.22 0.00 -1.04 0.00 0.00 56.93 55.24 1a4j s PHE 144 Cb -0.02 -1.27 0.08 0.00 -1.21 0.00 0.00 43.02 40.60 1a4j s PHE 144 CO 0.77 0.46 0.74 -0.47 -1.34 0.00 0.00 175.22 175.37 1a4j s TYR 145 N -2.78 -0.84 0.78 3.49 6.14 0.36 -1.03 117.35 123.46 1a4j s TYR 145 Ca 0.31 1.91 -0.13 0.00 0.64 0.00 0.00 57.07 59.80 1a4j s TYR 145 Cb 0.03 0.39 0.20 0.00 0.42 0.00 0.00 41.96 42.99 1a4j s TYR 145 CO 0.15 -0.41 0.64 -0.35 0.64 0.00 0.00 175.55 176.21 1a4j n PRO 146 N 3.15 -2.60 -0.07 4.97 -0.04 -1.26 -0.69 135.00 138.46 1a4j n PRO 146 Ca -0.16 -1.03 -0.04 0.00 -0.04 0.00 0.00 63.50 62.24 1a4j n PRO 146 Cb 0.56 -1.03 0.19 0.00 -0.04 0.00 0.00 33.50 33.18 1a4j n PRO 146 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1a4j h ARG 147 N 0.00 0.71 -6.18 0.54 2.43 -1.99 -3.44 114.38 106.45 1a4j h ARG 147 Ca -0.25 -0.20 -0.63 0.00 -0.81 0.00 0.00 59.98 58.10 1a4j h ARG 147 Cb 0.77 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 30.25 1a4j h ARG 147 CO 0.16 0.75 1.20 0.39 -1.51 0.00 0.00 179.97 180.96 1a4j n GLU 148 N -4.21 1.93 -4.04 0.20 4.71 -1.26 -4.95 120.64 113.03 1a4j n GLU 148 Ca 0.02 0.67 -0.07 0.00 -0.01 0.00 0.00 57.16 57.76 1a4j n GLU 148 Cb 0.31 -2.67 -0.09 0.00 -1.01 0.00 0.00 31.44 27.97 1a4j n GLU 148 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1a4j s ALA 149 N 5.17 0.34 -0.15 0.62 0.00 -1.26 -4.44 121.76 122.03 1a4j s ALA 149 Ca 0.97 -1.05 -0.03 0.00 0.00 0.00 0.00 51.96 51.84 1a4j s ALA 149 Cb -0.69 0.31 0.05 0.00 0.00 0.00 0.00 23.12 22.79 1a4j s ALA 149 CO 0.50 -0.39 0.05 0.21 0.00 0.00 0.00 175.76 176.13 1a4j s LYS 150 N -3.79 0.34 -0.32 0.00 2.36 -1.02 -4.98 119.74 112.33 1a4j s LYS 150 Ca 0.06 -0.13 -0.04 0.00 -2.55 0.00 0.00 55.97 53.31 1a4j s LYS 150 Cb 0.07 -1.67 0.04 0.00 -1.05 0.00 0.00 37.83 35.22 1a4j s LYS 150 CO -0.10 -0.57 0.05 0.08 1.55 0.00 0.00 175.35 176.36 1a4j s VAL 151 N 2.02 3.38 -0.20 4.02 1.01 -1.26 -0.48 120.40 128.90 1a4j s VAL 151 Ca 0.02 -1.24 -0.07 0.00 0.00 0.00 0.00 61.98 60.69 1a4j s VAL 151 Cb -0.15 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 1a4j s VAL 151 CO -0.07 -0.13 0.06 -1.10 0.00 0.00 0.00 175.10 173.85 1a4j s GLN 152 N 1.33 3.88 0.02 2.72 -1.52 0.01 -4.89 119.66 121.21 1a4j s GLN 152 Ca -0.03 -0.39 -0.15 0.00 -1.95 0.00 0.00 55.36 52.84 1a4j s GLN 152 Cb -0.19 -3.22 -0.06 0.00 -0.22 0.00 0.00 33.01 29.32 1a4j s GLN 152 CO 0.01 0.17 0.44 -1.58 -0.25 0.00 0.00 175.29 174.08 1a4j s TRP 153 N 0.65 3.73 -0.05 0.91 0.52 -1.26 0.04 118.94 123.49 1a4j s TRP 153 Ca 0.03 1.04 0.00 0.00 0.02 0.00 0.00 56.10 57.19 1a4j s TRP 153 Cb -0.13 -2.32 0.02 0.00 -1.15 0.00 0.00 33.47 29.89 1a4j s TRP 153 CO 0.02 0.62 -0.02 0.15 0.02 0.00 0.00 176.95 177.74 1a4j s LYS 154 N -1.15 0.62 -0.27 4.98 1.02 0.96 -0.20 119.74 125.71 1a4j s LYS 154 Ca 0.26 0.01 -0.02 0.00 0.02 0.00 0.00 55.97 56.24 1a4j s LYS 154 Cb -0.17 -0.79 0.04 0.00 -0.52 0.00 0.00 37.83 36.39 1a4j s LYS 154 CO 0.15 -0.17 -0.04 0.08 -0.92 0.00 0.00 175.35 174.45 1a4j s VAL 155 N 1.28 2.90 -1.39 3.17 1.01 -0.37 -0.46 120.40 126.54 1a4j s VAL 155 Ca -0.06 -1.20 -0.06 0.00 0.00 0.00 0.00 61.98 60.67 1a4j s VAL 155 Cb -0.13 -2.56 0.03 0.00 0.00 0.00 0.00 36.38 33.71 1a4j s VAL 155 CO -0.02 0.06 0.85 0.47 0.00 0.00 0.00 175.10 176.46 1a4j n ASP 156 N 4.64 -2.85 0.00 3.32 8.00 0.18 -1.27 116.55 128.57 1a4j n ASP 156 Ca -0.15 -0.78 0.00 0.00 0.71 0.00 0.00 54.79 54.57 1a4j n ASP 156 Cb 0.45 -4.11 0.00 0.00 -0.02 0.00 0.00 41.12 37.44 1a4j n ASP 156 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1a4j n ASN 157 N -2.98 0.00 -4.64 -2.24 2.85 -1.26 -4.98 115.26 102.01 1a4j n ASN 157 Ca -0.16 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 53.91 1a4j n ASN 157 Cb 0.62 -0.81 -0.06 0.00 1.24 0.00 0.00 39.78 40.77 1a4j n ASN 157 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1a4j s ALA 158 N -2.51 3.60 0.19 5.20 0.00 -0.40 -4.99 121.76 122.85 1a4j s ALA 158 Ca 0.00 -0.37 -0.31 0.00 0.00 0.00 0.00 51.96 51.27 1a4j s ALA 158 Cb 0.00 -3.03 -0.11 0.00 0.00 0.00 0.00 23.12 19.98 1a4j s ALA 158 CO 0.00 -0.75 1.60 -1.17 0.00 0.00 0.00 175.76 175.44 1a4j s LEU 159 N 2.37 4.37 0.34 0.00 2.96 -1.26 -1.24 118.68 126.22 1a4j s LEU 159 Ca 0.27 2.69 -0.04 0.00 -0.22 0.00 0.00 54.13 56.84 1a4j s LEU 159 Cb -0.16 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.89 1a4j s LEU 159 CO 0.09 -0.85 0.60 -1.10 -1.32 0.00 0.00 176.35 173.76 1a4j s GLN 160 N 0.97 3.58 -0.26 1.98 -1.52 0.72 -4.94 119.66 120.20 1a4j s GLN 160 Ca 0.70 -0.04 -0.23 0.00 -1.95 0.00 0.00 55.36 53.84 1a4j s GLN 160 Cb -0.45 -2.60 0.07 0.00 -0.22 0.00 0.00 33.01 29.81 1a4j s GLN 160 CO 0.33 0.12 0.69 0.45 -0.25 0.00 0.00 175.29 176.63 1a4j s SER 161 N -3.55 -0.75 0.00 5.90 0.15 -1.26 -4.64 113.70 109.55 1a4j s SER 161 Ca 0.44 1.40 0.00 0.00 0.70 0.00 0.00 55.95 58.49 1a4j s SER 161 Cb -0.10 1.40 0.00 0.00 -1.71 0.00 0.00 66.02 65.61 1a4j s SER 161 CO 0.34 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.15 1a4j n GLY 162 N 2.93 2.95 1.41 9.45 0.00 -1.26 -4.85 105.19 115.82 1a4j n GLY 162 Ca -0.15 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.90 1a4j n GLY 162 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1a4j n ASN 163 N 0.00 4.28 -4.13 1.61 6.94 -1.26 -4.98 115.26 117.71 1a4j n ASN 163 Ca 0.00 -3.17 -0.13 0.00 -0.02 0.00 0.00 54.58 51.27 1a4j n ASN 163 Cb 0.00 -0.64 -0.11 0.00 -2.36 0.00 0.00 39.78 36.67 1a4j n ASN 163 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1a4j s SER 164 N -1.58 1.13 -0.01 0.53 1.04 -1.26 -1.81 113.70 111.73 1a4j s SER 164 Ca 0.48 -0.79 0.02 0.00 0.48 0.00 0.00 55.95 56.14 1a4j s SER 164 Cb 0.39 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1a4j s SER 164 CO 0.10 -0.32 -0.06 -1.10 0.98 0.00 0.00 173.24 172.84 1a4j s GLN 165 N -2.75 0.62 0.10 4.02 -0.21 -0.52 -4.96 119.66 115.96 1a4j s GLN 165 Ca 0.02 -0.22 0.09 0.00 0.02 0.00 0.00 55.36 55.28 1a4j s GLN 165 Cb -0.02 -0.61 -0.03 0.00 1.00 0.00 0.00 33.01 33.34 1a4j s GLN 165 CO -0.02 0.10 -0.23 -1.83 -2.12 0.00 0.00 175.29 171.19 1a4j s GLU 166 N 0.07 1.30 0.06 2.91 -1.05 -1.26 -0.39 118.70 120.34 1a4j s GLU 166 Ca -0.01 -1.19 0.07 0.00 -0.15 0.00 0.00 54.97 53.69 1a4j s GLU 166 Cb -0.05 -1.62 -0.03 0.00 -0.44 0.00 0.00 34.13 31.99 1a4j s GLU 166 CO -0.00 0.39 -0.19 0.45 0.95 0.00 0.00 175.26 176.85 1a4j s SER 167 N -1.82 2.30 -0.01 0.83 0.15 0.29 -4.97 113.70 110.47 1a4j s SER 167 Ca 0.09 -0.56 0.03 0.00 0.70 0.00 0.00 55.95 56.22 1a4j s SER 167 Cb -0.10 -0.16 -0.01 0.00 -1.71 0.00 0.00 66.02 64.04 1a4j s SER 167 CO 0.04 0.10 -0.09 0.54 1.20 0.00 0.00 173.24 175.03 1a4j s VAL 168 N -0.92 0.74 0.55 4.45 0.11 -1.26 -0.91 120.40 123.16 1a4j s VAL 168 Ca 0.06 -0.40 -0.05 0.00 -2.93 0.00 0.00 61.98 58.66 1a4j s VAL 168 Cb -0.09 -0.63 -0.00 0.00 -1.53 0.00 0.00 36.38 34.13 1a4j s VAL 168 CO 0.02 0.21 0.85 0.42 -3.33 0.00 0.00 175.10 173.27 1a4j s THR 169 N -0.20 3.99 0.52 5.04 -4.23 -0.16 -4.99 115.64 115.61 1a4j s THR 169 Ca 0.03 -0.00 -0.19 0.00 -1.18 0.00 0.00 61.69 60.35 1a4j s THR 169 Cb -0.04 -3.55 -0.07 0.00 1.34 0.00 0.00 72.50 70.18 1a4j s THR 169 CO -0.00 -0.54 1.06 -1.61 -0.54 0.00 0.00 174.62 172.98 1a4j s GLU 170 N -4.88 3.61 0.12 3.99 0.41 -1.26 -4.50 118.70 116.19 1a4j s GLU 170 Ca 0.52 1.39 -0.34 0.00 -0.41 0.00 0.00 54.97 56.12 1a4j s GLU 170 Cb -0.10 -2.06 -0.17 0.00 -1.78 0.00 0.00 34.13 30.01 1a4j s GLU 170 CO 0.44 -0.60 1.10 0.94 -0.49 0.00 0.00 175.26 176.66 1a4j n GLN 171 N -1.24 0.79 -2.07 1.61 7.27 -1.26 -4.81 117.38 117.67 1a4j n GLN 171 Ca 0.10 0.28 -0.40 0.00 0.07 0.00 0.00 57.00 57.05 1a4j n GLN 171 Cb 0.52 -1.75 -0.01 0.00 2.41 0.00 0.00 30.24 31.41 1a4j n GLN 171 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1a4j s ASP 172 N -0.04 6.57 0.15 1.69 2.15 0.61 -4.88 116.67 122.93 1a4j s ASP 172 Ca 0.78 2.70 -0.13 0.00 0.43 0.00 0.00 52.55 56.33 1a4j s ASP 172 Cb -0.97 -2.65 0.02 0.00 -0.30 0.00 0.00 42.92 39.03 1a4j s ASP 172 CO 0.53 -0.68 1.63 0.77 -0.17 0.00 0.00 175.17 177.24 1a4j h SER 173 N 3.08 0.82 0.23 -0.34 4.64 -1.91 -0.26 113.55 119.81 1a4j h SER 173 Ca -0.49 -0.28 -0.01 0.00 -0.47 0.00 0.00 61.79 60.54 1a4j h SER 173 Cb 1.23 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1a4j h SER 173 CO 0.64 0.89 -0.11 0.11 -0.87 0.00 0.00 176.83 177.49 1a4j h LYS 174 N 0.72 -0.30 -0.34 4.77 6.56 -1.99 -3.39 116.57 122.59 1a4j h LYS 174 Ca 0.15 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.76 1a4j h LYS 174 Cb 0.44 0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.17 1a4j h LYS 174 CO 0.01 -0.20 0.00 -0.40 -2.06 0.00 0.00 179.45 176.80 1a4j n ASP 175 N -4.17 3.36 -0.79 0.86 5.68 -1.26 -4.98 116.55 115.25 1a4j n ASP 175 Ca -0.04 -1.98 -0.10 0.00 -0.50 0.00 0.00 54.79 52.16 1a4j n ASP 175 Cb 0.12 -0.22 -0.04 0.00 -1.14 0.00 0.00 41.12 39.84 1a4j n ASP 175 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1a4j n SER 176 N 1.44 -5.72 -3.81 -1.12 7.64 -0.11 -4.91 113.62 107.02 1a4j n SER 176 Ca 0.19 0.25 -0.18 0.00 1.01 0.00 0.00 58.87 60.14 1a4j n SER 176 Cb 0.60 -4.13 0.10 0.00 -1.01 0.00 0.00 64.21 59.77 1a4j n SER 176 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1a4j n THR 177 N -2.21 0.00 -4.20 0.44 -2.24 -1.26 -4.47 114.28 100.33 1a4j n THR 177 Ca -0.10 -1.09 -0.14 0.00 -2.27 0.00 0.00 64.05 60.44 1a4j n THR 177 Cb 0.59 -1.13 -0.10 0.00 -2.10 0.00 0.00 70.33 67.58 1a4j n THR 177 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1a4j s TYR 178 N -2.42 1.14 0.08 4.78 2.02 -0.20 -0.28 117.35 122.47 1a4j s TYR 178 Ca 0.51 -0.70 0.03 0.00 -0.37 0.00 0.00 57.07 56.54 1a4j s TYR 178 Cb -0.03 -0.61 -0.03 0.00 -0.40 0.00 0.00 41.96 40.89 1a4j s TYR 178 CO 0.34 0.03 -0.09 -1.12 -1.57 0.00 0.00 175.55 173.13 1a4j s SER 179 N -2.73 1.26 -0.05 2.29 0.01 -1.26 -0.01 113.70 113.22 1a4j s SER 179 Ca 0.10 -0.76 -0.10 0.00 1.31 0.00 0.00 55.95 56.50 1a4j s SER 179 Cb -0.01 0.02 0.02 0.00 0.21 0.00 0.00 66.02 66.27 1a4j s SER 179 CO 0.00 -0.26 0.24 -0.22 0.41 0.00 0.00 173.24 173.41 1a4j s LEU 180 N -2.25 1.11 -0.06 2.44 0.20 -0.28 -0.99 118.68 118.86 1a4j s LEU 180 Ca 0.02 0.22 0.05 0.00 0.69 0.00 0.00 54.13 55.11 1a4j s LEU 180 Cb -0.04 0.92 -0.00 0.00 -0.43 0.00 0.00 46.19 46.64 1a4j s LEU 180 CO -0.00 -0.25 -0.21 -0.94 -0.29 0.00 0.00 176.35 174.65 1a4j s SER 181 N -0.62 2.67 -0.17 3.68 1.04 -0.09 -0.46 113.70 119.75 1a4j s SER 181 Ca -0.07 -0.45 0.01 0.00 0.48 0.00 0.00 55.95 55.91 1a4j s SER 181 Cb -0.04 -0.88 0.03 0.00 0.10 0.00 0.00 66.02 65.23 1a4j s SER 181 CO 0.02 0.18 -0.15 -0.55 0.98 0.00 0.00 173.24 173.72 1a4j s SER 182 N 0.08 3.04 -0.21 7.02 0.15 -0.25 -0.54 113.70 122.98 1a4j s SER 182 Ca -0.08 -0.66 -0.08 0.00 0.70 0.00 0.00 55.95 55.83 1a4j s SER 182 Cb -0.14 -1.29 -0.04 0.00 -1.71 0.00 0.00 66.02 62.84 1a4j s SER 182 CO 0.04 -0.07 0.08 -0.89 1.20 0.00 0.00 173.24 173.60 1a4j s THR 183 N 1.40 4.73 -0.25 6.45 2.01 0.47 -1.10 115.64 129.35 1a4j s THR 183 Ca 0.03 -0.05 -0.10 0.00 0.31 0.00 0.00 61.69 61.89 1a4j s THR 183 Cb -0.14 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.16 1a4j s THR 183 CO -0.11 0.41 0.14 -0.22 -0.69 0.00 0.00 174.62 174.15 1a4j s LEU 184 N 0.82 3.89 -0.06 4.42 2.96 0.59 -1.43 118.68 129.86 1a4j s LEU 184 Ca 0.04 -0.01 0.03 0.00 -0.22 0.00 0.00 54.13 53.97 1a4j s LEU 184 Cb -0.13 -2.05 -0.03 0.00 0.50 0.00 0.00 46.19 44.48 1a4j s LEU 184 CO 0.02 0.01 -0.12 0.42 -1.32 0.00 0.00 176.35 175.36 1a4j s THR 185 N 1.36 3.23 0.13 3.68 -4.23 -0.75 -0.93 115.64 118.12 1a4j s THR 185 Ca 0.06 -0.66 -0.11 0.00 -1.18 0.00 0.00 61.69 59.81 1a4j s THR 185 Cb -0.15 -2.28 0.01 0.00 1.34 0.00 0.00 72.50 71.42 1a4j s THR 185 CO 0.06 0.59 0.29 -0.76 -0.54 0.00 0.00 174.62 174.26 1a4j s LEU 186 N -0.71 0.97 0.60 4.79 1.43 -0.92 -4.87 118.68 119.98 1a4j s LEU 186 Ca 0.11 -0.63 -0.14 0.00 -1.03 0.00 0.00 54.13 52.44 1a4j s LEU 186 Cb -0.11 1.34 -0.04 0.00 0.03 0.00 0.00 46.19 47.41 1a4j s LEU 186 CO 0.01 -0.83 1.03 -0.94 0.23 0.00 0.00 176.35 175.85 1a4j s SER 187 N -2.88 6.02 0.21 2.29 1.04 -1.26 -1.69 113.70 117.43 1a4j s SER 187 Ca 0.08 1.61 -0.10 0.00 0.48 0.00 0.00 55.95 58.02 1a4j s SER 187 Cb 0.03 -2.50 0.22 0.00 0.10 0.00 0.00 66.02 63.87 1a4j s SER 187 CO -0.08 -1.00 1.82 0.50 0.98 0.00 0.00 173.24 175.46 1a4j h LYS 188 N 0.12 0.70 0.33 4.02 3.64 -0.88 0.19 116.57 124.69 1a4j h LYS 188 Ca -0.45 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1a4j h LYS 188 Cb 1.20 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.85 1a4j h LYS 188 CO 0.59 0.46 -0.30 0.00 -2.27 0.00 0.00 179.45 177.93 1a4j h ALA 189 N 1.33 -0.66 -0.75 5.00 0.00 -1.92 0.12 119.26 122.37 1a4j h ALA 189 Ca 0.29 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1a4j h ALA 189 Cb 0.14 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1a4j h ALA 189 CO -0.16 -0.90 0.50 -0.44 0.00 0.00 0.00 179.25 178.25 1a4j h ASP 190 N -0.65 0.80 -0.40 0.00 3.32 -1.86 -2.26 116.42 115.37 1a4j h ASP 190 Ca -0.02 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1a4j h ASP 190 Cb 0.59 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 1a4j h ASP 190 CO -0.04 0.56 0.21 0.22 -1.72 0.00 0.00 179.24 178.47 1a4j h TYR 191 N 0.94 0.57 0.00 4.55 3.20 0.06 -1.79 116.97 124.49 1a4j h TYR 191 Ca 0.30 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.15 1a4j h TYR 191 Cb 0.02 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.11 1a4j h TYR 191 CO -0.00 0.45 0.00 0.39 -1.64 0.00 0.00 178.16 177.36 1a4j n GLU 192 N -4.71 0.84 0.00 1.82 1.02 0.35 -2.82 120.64 117.14 1a4j n GLU 192 Ca 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.28 1a4j n GLU 192 Cb 0.09 -1.36 0.38 0.00 -0.02 0.00 0.00 31.44 30.54 1a4j n GLU 192 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1a4j n LYS 193 N -0.86 1.82 -4.17 3.49 4.81 -0.67 -4.96 118.16 117.61 1a4j n LYS 193 Ca 0.14 -1.23 -0.11 0.00 -0.87 0.00 0.00 58.31 56.25 1a4j n LYS 193 Cb 0.07 -1.47 -0.10 0.00 0.02 0.00 0.00 35.03 33.54 1a4j n LYS 193 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1a4j s HIS 194 N -2.03 0.94 0.00 5.64 3.76 -1.13 -5.08 115.29 117.39 1a4j s HIS 194 Ca 0.34 -1.16 0.00 0.00 -0.15 0.00 0.00 55.06 54.09 1a4j s HIS 194 Cb 0.21 -0.54 0.00 0.00 1.11 0.00 0.00 32.58 33.36 1a4j s HIS 194 CO 0.34 -0.42 0.00 1.17 -0.85 0.00 0.00 174.74 174.98 1a4j n LYS 195 N -0.12 0.00 -3.11 1.40 4.81 -1.26 -3.74 118.16 116.14 1a4j n LYS 195 Ca -0.06 0.02 -0.39 0.00 -0.87 0.00 0.00 58.31 57.01 1a4j n LYS 195 Cb 0.63 -0.23 -0.05 0.00 0.02 0.00 0.00 35.03 35.40 1a4j n LYS 195 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1a4j s VAL 196 N -0.27 4.86 -0.16 3.15 -7.23 -1.26 -3.60 120.40 115.89 1a4j s VAL 196 Ca 0.00 1.40 0.01 0.00 -1.81 0.00 0.00 61.98 61.58 1a4j s VAL 196 Cb 0.00 -4.01 0.02 0.00 0.56 0.00 0.00 36.38 32.95 1a4j s VAL 196 CO 0.00 0.38 -0.17 -0.31 -0.31 0.00 0.00 175.10 174.70 1a4j s TYR 197 N -0.05 2.46 0.02 2.82 2.02 -1.01 0.49 117.35 124.10 1a4j s TYR 197 Ca 0.34 -1.43 0.01 0.00 -0.37 0.00 0.00 57.07 55.62 1a4j s TYR 197 Cb -0.19 -1.75 -0.01 0.00 -0.40 0.00 0.00 41.96 39.61 1a4j s TYR 197 CO 0.19 -0.74 -0.04 0.00 -1.57 0.00 0.00 175.55 173.39 1a4j s ALA 198 N 1.39 0.27 -0.11 3.71 0.00 0.39 -2.42 121.76 124.99 1a4j s ALA 198 Ca 0.05 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 51.57 1a4j s ALA 198 Cb -0.13 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.05 1a4j s ALA 198 CO -0.12 -0.04 -0.15 0.00 0.00 0.00 0.00 175.76 175.45 1a4j s GLU 200 N 1.06 3.10 -0.08 0.00 2.12 0.11 -1.73 118.70 123.29 1a4j s GLU 200 Ca -0.05 -0.87 -0.12 0.00 0.36 0.00 0.00 54.97 54.30 1a4j s GLU 200 Cb -0.15 -3.52 -0.05 0.00 0.26 0.00 0.00 34.13 30.68 1a4j s GLU 200 CO -0.03 -0.50 0.29 0.08 -0.54 0.00 0.00 175.26 174.56 1a4j s VAL 201 N 1.55 5.26 -0.28 3.70 1.01 0.21 -0.81 120.40 131.03 1a4j s VAL 201 Ca 0.03 0.55 -0.01 0.00 0.00 0.00 0.00 61.98 62.55 1a4j s VAL 201 Cb -0.18 -3.58 0.09 0.00 0.00 0.00 0.00 36.38 32.71 1a4j s VAL 201 CO 0.05 0.55 0.07 0.42 0.00 0.00 0.00 175.10 176.19 1a4j s THR 202 N -0.72 0.87 0.10 3.92 -4.23 0.37 -0.15 115.64 115.80 1a4j s THR 202 Ca 0.19 -1.19 0.10 0.00 -1.18 0.00 0.00 61.69 59.60 1a4j s THR 202 Cb -0.14 -1.54 -0.04 0.00 1.34 0.00 0.00 72.50 72.12 1a4j s THR 202 CO 0.08 -0.51 -0.25 -2.28 -0.54 0.00 0.00 174.62 171.12 1a4j s HIS 203 N 1.65 2.15 -0.14 3.99 5.65 -1.26 -2.42 115.29 124.90 1a4j s HIS 203 Ca 0.06 -0.39 0.11 0.00 0.25 0.00 0.00 55.06 55.08 1a4j s HIS 203 Cb -0.17 -1.20 0.58 0.00 -1.18 0.00 0.00 32.58 30.61 1a4j s HIS 203 CO -0.19 0.25 1.21 0.00 -0.65 0.00 0.00 174.74 175.35 1a4j n GLN 204 N 1.21 0.07 0.00 2.88 10.64 -1.26 0.12 117.38 131.03 1a4j n GLN 204 Ca -0.18 0.52 0.11 0.00 -1.83 0.00 0.00 57.00 55.62 1a4j n GLN 204 Cb 0.53 -1.99 0.10 0.00 -0.86 0.00 0.00 30.24 28.02 1a4j n GLN 204 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1a4j n GLY 205 N -1.28 -0.50 3.86 2.61 0.00 -1.26 -4.90 105.19 103.72 1a4j n GLY 205 Ca -0.01 -0.54 -0.37 0.00 0.00 0.00 0.00 46.02 45.11 1a4j n GLY 205 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a4j s LEU 206 N -2.65 4.42 0.16 0.99 1.43 0.12 -4.45 118.68 118.69 1a4j s LEU 206 Ca 0.17 0.76 -0.12 0.00 -1.03 0.00 0.00 54.13 53.91 1a4j s LEU 206 Cb 0.18 -2.52 0.04 0.00 0.03 0.00 0.00 46.19 43.91 1a4j s LEU 206 CO 0.63 0.32 1.65 0.77 0.23 0.00 0.00 176.35 179.95 1a4j h SER 207 N 4.53 0.82 -4.90 2.29 4.64 -1.90 -3.45 113.55 115.59 1a4j h SER 207 Ca -0.52 -0.25 -0.13 0.00 -0.47 0.00 0.00 61.79 60.42 1a4j h SER 207 Cb 1.22 -0.22 -0.21 0.00 -0.31 0.00 0.00 62.40 62.88 1a4j h SER 207 CO 0.62 0.87 -0.36 -0.94 -0.87 0.00 0.00 176.83 176.15 1a4j s SER 208 N -6.24 -0.13 0.07 4.97 1.04 -1.26 -5.12 113.70 107.04 1a4j s SER 208 Ca -0.13 0.02 -0.37 0.00 0.48 0.00 0.00 55.95 55.96 1a4j s SER 208 Cb 0.12 0.30 -0.18 0.00 0.10 0.00 0.00 66.02 66.35 1a4j s SER 208 CO 0.81 -0.40 1.05 -2.65 0.98 0.00 0.00 173.24 173.03 1a4j n PRO 209 N 1.46 0.38 -3.98 4.02 -0.02 -1.26 -4.94 135.00 130.65 1a4j n PRO 209 Ca -0.21 0.14 -0.36 0.00 -2.02 0.00 0.00 63.50 61.04 1a4j n PRO 209 Cb 0.56 -1.59 -0.07 0.00 -0.02 0.00 0.00 33.50 32.38 1a4j n PRO 209 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1a4j s VAL 210 N -0.09 5.18 0.06 -1.45 1.01 0.79 -4.91 120.40 120.98 1a4j s VAL 210 Ca 0.83 0.09 0.07 0.00 0.00 0.00 0.00 61.98 62.97 1a4j s VAL 210 Cb -1.10 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 1a4j s VAL 210 CO 0.54 0.58 -0.20 0.28 0.00 0.00 0.00 175.10 176.30 1a4j s THR 211 N -0.70 1.64 0.08 3.92 -1.32 -1.26 0.64 115.64 118.63 1a4j s THR 211 Ca 0.13 -1.26 0.08 0.00 -1.21 0.00 0.00 61.69 59.42 1a4j s THR 211 Cb -0.12 -1.44 -0.03 0.00 -1.51 0.00 0.00 72.50 69.40 1a4j s THR 211 CO 0.03 0.13 -0.20 -0.54 -2.21 0.00 0.00 174.62 171.83 1a4j s LYS 212 N -1.34 1.20 0.29 7.08 -0.14 -0.71 -4.98 119.74 121.14 1a4j s LYS 212 Ca 0.07 -1.05 -0.20 0.00 -1.36 0.00 0.00 55.97 53.43 1a4j s LYS 212 Cb -0.09 -1.38 0.02 0.00 -1.68 0.00 0.00 37.83 34.70 1a4j s LYS 212 CO 0.02 0.33 0.71 -1.54 -0.76 0.00 0.00 175.35 174.11 1a4j s SER 213 N -1.59 -0.22 0.22 2.83 1.04 -1.26 -1.88 113.70 112.84 1a4j s SER 213 Ca 0.06 -0.69 -0.12 0.00 0.48 0.00 0.00 55.95 55.69 1a4j s SER 213 Cb -0.09 0.73 -0.00 0.00 0.10 0.00 0.00 66.02 66.75 1a4j s SER 213 CO 0.03 -1.37 0.41 0.72 0.98 0.00 0.00 173.24 174.02 1a4j s PHE 214 N -3.77 0.39 0.00 5.02 -0.12 -1.02 -5.02 117.98 113.46 1a4j s PHE 214 Ca 0.12 -0.73 0.00 0.00 -0.05 0.00 0.00 56.93 56.27 1a4j s PHE 214 Cb -0.05 0.10 0.00 0.00 -0.63 0.00 0.00 43.02 42.43 1a4j s PHE 214 CO 0.08 -0.90 0.00 0.09 -0.05 0.00 0.00 175.22 174.44 1a4j n ASN 215 N -0.33 0.00 0.00 1.98 3.02 -1.26 -2.39 115.26 116.27 1a4j n ASN 215 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 1a4j n ASN 215 Cb 0.62 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.79 1a4j n ASN 215 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1a4j n ARG 216 N -0.11 0.00 0.00 3.52 3.00 -1.26 -4.52 116.66 117.29 1a4j n ARG 216 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.85 57.98 1a4j n ARG 216 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 32.46 32.71 1a4j n ARG 216 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04