#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 4.42 -0.18 -1.84 2.96 -1.26 -5.04 118.68 117.74 1a4j s LEU 2 Ca 0.00 1.19 -0.08 0.00 -0.22 0.00 0.00 54.13 55.02 1a4j s LEU 2 Cb 0.00 -2.95 -0.04 0.00 0.50 0.00 0.00 46.19 43.70 1a4j s LEU 2 CO 0.00 0.10 0.07 -0.69 -1.32 0.00 0.00 176.35 174.51 1a4j s VAL 3 N -0.22 4.85 -0.25 1.68 1.01 -1.26 -4.85 120.40 121.36 1a4j s VAL 3 Ca 0.32 -0.01 -0.03 0.00 0.00 0.00 0.00 61.98 62.25 1a4j s VAL 3 Cb -0.18 -3.18 0.01 0.00 0.00 0.00 0.00 36.38 33.02 1a4j s VAL 3 CO 0.18 0.46 -0.03 -0.04 0.00 0.00 0.00 175.10 175.67 1a4j s MET 4 N 0.32 3.07 -0.34 2.72 1.00 -1.26 0.91 119.30 125.72 1a4j s MET 4 Ca 0.04 -0.83 -0.08 0.00 0.00 0.00 0.00 55.69 54.82 1a4j s MET 4 Cb -0.12 -3.07 0.03 0.00 0.00 0.00 0.00 34.83 31.67 1a4j s MET 4 CO -0.00 -0.34 0.13 0.99 0.00 0.00 0.00 175.02 175.80 1a4j s THR 5 N 1.41 4.07 -0.38 2.05 2.01 0.15 -3.90 115.64 121.06 1a4j s THR 5 Ca 0.03 -0.96 -0.23 0.00 0.31 0.00 0.00 61.69 60.84 1a4j s THR 5 Cb -0.16 -3.25 0.01 0.00 0.01 0.00 0.00 72.50 69.11 1a4j s THR 5 CO -0.03 -0.15 0.77 -1.10 -0.69 0.00 0.00 174.62 173.43 1a4j s GLN 6 N 1.47 3.69 0.03 4.92 -0.21 -1.26 -1.56 119.66 126.74 1a4j s GLN 6 Ca 0.00 0.22 -0.17 0.00 0.02 0.00 0.00 55.36 55.43 1a4j s GLN 6 Cb -0.19 -3.83 -0.09 0.00 1.00 0.00 0.00 33.01 29.90 1a4j s GLN 6 CO 0.04 -0.89 1.26 1.15 -2.12 0.00 0.00 175.29 174.73 1a4j h THR 7 N 5.79 0.00 -2.53 -0.19 2.02 -1.86 -3.38 112.91 112.77 1a4j h THR 7 Ca -0.25 0.00 -0.54 0.00 0.77 0.00 0.00 66.41 66.40 1a4j h THR 7 Cb 1.09 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.45 1a4j h THR 7 CO 0.91 0.00 1.19 -2.84 0.37 0.00 0.00 175.52 175.15 1a4j s PRO 8 N -4.34 3.11 0.19 6.66 0.02 -1.26 -4.79 135.00 134.60 1a4j s PRO 8 Ca -0.09 0.56 -0.11 0.00 0.02 0.00 0.00 61.00 61.39 1a4j s PRO 8 Cb 0.02 -4.21 0.12 0.00 0.02 0.00 0.00 34.50 30.45 1a4j s PRO 8 CO 0.28 -2.17 1.81 1.25 -0.33 0.00 0.00 177.00 177.83 1a4j h LEU 9 N 14.11 0.88 -7.85 -5.54 7.12 -1.84 -3.40 115.31 118.79 1a4j h LEU 9 Ca -0.27 -0.10 -0.35 0.00 0.13 0.00 0.00 57.88 57.29 1a4j h LEU 9 Cb 1.12 -0.22 -0.30 0.00 -0.53 0.00 0.00 40.66 40.72 1a4j h LEU 9 CO 1.18 0.73 -0.76 -0.55 -0.13 0.00 0.00 178.44 178.91 1a4j s SER 10 N -6.03 0.67 -0.28 1.25 0.15 -1.26 -1.24 113.70 106.96 1a4j s SER 10 Ca -0.13 -0.10 0.01 0.00 0.70 0.00 0.00 55.95 56.43 1a4j s SER 10 Cb 0.14 -0.16 0.08 0.00 -1.71 0.00 0.00 66.02 64.37 1a4j s SER 10 CO 0.79 0.02 0.02 -0.22 1.20 0.00 0.00 173.24 175.06 1a4j s LEU 11 N 0.21 2.99 0.16 3.45 0.20 0.14 -4.90 118.68 120.93 1a4j s LEU 11 Ca -0.02 -1.55 -0.30 0.00 0.69 0.00 0.00 54.13 52.95 1a4j s LEU 11 Cb -0.06 -1.18 -0.07 0.00 -0.43 0.00 0.00 46.19 44.45 1a4j s LEU 11 CO -0.00 -0.33 1.04 -2.84 -0.29 0.00 0.00 176.35 173.93 1a4j s PRO 12 N 1.35 4.65 0.05 0.98 0.02 -1.26 -0.77 135.00 140.01 1a4j s PRO 12 Ca 0.03 1.61 -0.09 0.00 0.02 0.00 0.00 61.00 62.57 1a4j s PRO 12 Cb -0.18 -3.31 0.00 0.00 0.02 0.00 0.00 34.50 31.03 1a4j s PRO 12 CO -0.12 0.15 0.19 0.54 -0.33 0.00 0.00 177.00 177.43 1a4j s VAL 13 N -0.22 0.12 -0.09 3.83 0.11 0.22 -4.71 120.40 119.66 1a4j s VAL 13 Ca 0.48 -0.97 -0.06 0.00 -2.93 0.00 0.00 61.98 58.49 1a4j s VAL 13 Cb -0.27 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.54 1a4j s VAL 13 CO 0.33 -0.54 0.17 -0.44 -3.33 0.00 0.00 175.10 171.29 1a4j s SER 14 N -2.25 6.41 0.41 3.54 0.01 -1.26 -0.36 113.70 120.20 1a4j s SER 14 Ca -0.03 0.47 -0.26 0.00 1.31 0.00 0.00 55.95 57.44 1a4j s SER 14 Cb 0.00 -2.07 -0.10 0.00 0.21 0.00 0.00 66.02 64.07 1a4j s SER 14 CO -0.05 0.37 1.34 0.18 0.41 0.00 0.00 173.24 175.49 1a4j n LEU 15 N 1.73 4.34 0.00 2.44 4.77 -1.26 -1.74 117.00 127.27 1a4j n LEU 15 Ca -0.18 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.95 1a4j n LEU 15 Cb 0.54 -1.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.09 1a4j n LEU 15 CO 0.34 -0.39 0.00 0.61 -1.33 0.00 0.00 177.39 176.62 1a4j n GLY 16 N 0.70 2.92 3.94 -0.72 0.00 0.56 -4.86 105.19 107.73 1a4j n GLY 16 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.38 4.70 0.08 1.61 1.11 -0.71 -3.89 116.67 118.19 1a4j s ASP 17 Ca 0.00 0.32 -0.11 0.00 0.18 0.00 0.00 52.55 52.94 1a4j s ASP 17 Cb 0.00 -0.93 -0.06 0.00 1.07 0.00 0.00 42.92 43.00 1a4j s ASP 17 CO 0.00 -1.66 0.43 -1.58 1.18 0.00 0.00 175.17 173.55 1a4j s GLN 18 N -5.24 3.83 0.02 8.23 2.00 -1.26 0.18 119.66 127.42 1a4j s GLN 18 Ca 0.61 0.27 0.08 0.00 -2.00 0.00 0.00 55.36 54.33 1a4j s GLN 18 Cb -0.10 -3.01 -0.02 0.00 0.80 0.00 0.00 33.01 30.68 1a4j s GLN 18 CO 0.45 0.56 -0.25 0.00 -0.50 0.00 0.00 175.29 175.54 1a4j s ALA 19 N -1.38 2.11 -0.15 1.58 0.00 0.15 -4.96 121.76 119.11 1a4j s ALA 19 Ca 0.33 -1.16 -0.03 0.00 0.00 0.00 0.00 51.96 51.11 1a4j s ALA 19 Cb -0.14 -0.48 0.05 0.00 0.00 0.00 0.00 23.12 22.54 1a4j s ALA 19 CO 0.18 0.50 0.03 0.45 0.00 0.00 0.00 175.76 176.92 1a4j s SER 20 N -0.95 2.36 -0.11 0.00 0.15 -1.26 -0.33 113.70 113.56 1a4j s SER 20 Ca 0.10 -0.53 -0.02 0.00 0.70 0.00 0.00 55.95 56.20 1a4j s SER 20 Cb -0.10 -0.50 -0.03 0.00 -1.71 0.00 0.00 66.02 63.69 1a4j s SER 20 CO 0.01 -0.27 -0.02 -0.63 1.20 0.00 0.00 173.24 173.52 1a4j s ILE 21 N 1.93 4.05 0.05 6.45 1.01 -0.15 -4.94 121.20 129.61 1a4j s ILE 21 Ca 0.02 -0.33 0.03 0.00 0.00 0.00 0.00 60.65 60.37 1a4j s ILE 21 Cb -0.15 -2.72 -0.04 0.00 0.01 0.00 0.00 42.46 39.56 1a4j s ILE 21 CO -0.07 0.56 -0.00 -0.55 0.00 0.00 0.00 174.94 174.87 1a4j s SER 22 N -0.38 5.04 -0.04 3.58 0.15 -1.26 -1.07 113.70 119.73 1a4j s SER 22 Ca 0.07 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.61 1a4j s SER 22 Cb -0.12 -1.24 0.03 0.00 -1.71 0.00 0.00 66.02 62.97 1a4j s SER 22 CO 0.02 0.22 -0.01 0.00 1.20 0.00 0.00 173.24 174.68 1a4j s ARG 24 N 1.20 2.25 0.11 0.00 3.52 -0.60 -0.77 118.95 124.67 1a4j s ARG 24 Ca -0.07 -0.61 0.02 0.00 -0.13 0.00 0.00 55.73 54.94 1a4j s ARG 24 Cb -0.13 -1.77 -0.04 0.00 -1.56 0.00 0.00 34.95 31.44 1a4j s ARG 24 CO -0.02 0.09 0.18 -1.54 -0.81 0.00 0.00 175.30 173.21 1a4j s SER 25 N 0.52 5.99 0.18 -2.12 1.04 -0.05 0.33 113.70 119.58 1a4j s SER 25 Ca -0.16 0.10 -0.13 0.00 0.48 0.00 0.00 55.95 56.24 1a4j s SER 25 Cb -0.17 -1.73 0.08 0.00 0.10 0.00 0.00 66.02 64.30 1a4j s SER 25 CO 0.06 0.12 1.82 0.77 0.98 0.00 0.00 173.24 176.99 1a4j h SER 26 N 2.76 0.69 -2.66 7.02 4.64 0.19 -3.45 113.55 122.75 1a4j h SER 26 Ca -0.47 -0.05 -0.53 0.00 -0.47 0.00 0.00 61.79 60.28 1a4j h SER 26 Cb 1.18 -0.17 -0.14 0.00 -0.31 0.00 0.00 62.40 62.96 1a4j h SER 26 CO 0.69 0.53 -0.63 -1.10 -0.87 0.00 0.00 176.83 175.45 1a4j s GLN 27 N -6.03 1.70 0.32 4.77 -0.21 -1.26 -4.97 119.66 113.98 1a4j s GLN 27 Ca -0.13 -1.92 -0.29 0.00 0.02 0.00 0.00 55.36 53.04 1a4j s GLN 27 Cb 0.13 -1.22 -0.11 0.00 1.00 0.00 0.00 33.01 32.81 1a4j s GLN 27 CO 0.76 -0.05 1.48 0.45 -2.12 0.00 0.00 175.29 175.81 1a4j s SER 28 N -3.54 6.49 -0.16 5.90 0.15 -1.26 -4.71 113.70 116.57 1a4j s SER 28 Ca 0.33 2.88 0.13 0.00 0.70 0.00 0.00 55.95 60.00 1a4j s SER 28 Cb 0.07 -2.65 0.68 0.00 -1.71 0.00 0.00 66.02 62.41 1a4j s SER 28 CO 0.15 -0.79 1.55 0.18 1.20 0.00 0.00 173.24 175.52 1a4j n LEU 29 N 1.45 4.74 -4.53 3.45 4.77 -0.59 -4.84 117.00 121.45 1a4j n LEU 29 Ca 0.04 -2.40 -0.42 0.00 -0.03 0.00 0.00 56.01 53.20 1a4j n LEU 29 Cb 0.39 -0.62 -0.03 0.00 -2.33 0.00 0.00 43.42 40.83 1a4j n LEU 29 CO 0.62 0.63 0.91 -0.69 -1.33 0.00 0.00 177.39 177.53 1a4j s VAL 30 N -2.25 4.16 0.78 4.08 1.01 -1.26 -3.49 120.40 123.42 1a4j s VAL 30 Ca 0.46 0.34 -0.13 0.00 0.00 0.00 0.00 61.98 62.65 1a4j s VAL 30 Cb 0.33 -4.69 0.07 0.00 0.00 0.00 0.00 36.38 32.09 1a4j s VAL 30 CO 0.16 -1.38 1.18 -2.28 0.00 0.00 0.00 175.10 172.78 1a4j s HIS 31 N 4.57 2.02 -0.40 5.22 2.46 0.09 -4.87 115.29 124.37 1a4j s HIS 31 Ca 0.33 1.64 0.24 0.00 0.47 0.00 0.00 55.06 57.74 1a4j s HIS 31 Cb -0.11 -3.38 1.04 0.00 -0.13 0.00 0.00 32.58 30.00 1a4j s HIS 31 CO 0.18 -2.54 1.72 -1.13 -2.47 0.00 0.00 174.74 170.50 1a4j n SER 32 N -3.17 0.69 -0.12 9.88 3.41 -1.26 -1.33 113.62 121.72 1a4j n SER 32 Ca 0.12 0.69 0.14 0.00 -0.26 0.00 0.00 58.87 59.57 1a4j n SER 32 Cb 0.51 -0.83 0.66 0.00 -0.26 0.00 0.00 64.21 64.29 1a4j n SER 32 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1a4j n ASN 33 N -2.29 0.45 0.00 4.04 6.94 -1.26 -4.96 115.26 118.18 1a4j n ASN 33 Ca 0.01 -0.65 0.00 0.00 -0.02 0.00 0.00 54.58 53.93 1a4j n ASN 33 Cb 0.20 -0.08 0.00 0.00 -2.36 0.00 0.00 39.78 37.54 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 1.24 2.90 3.36 4.83 0.00 -0.44 -5.08 105.19 112.00 1a4j n GLY 34 Ca 0.16 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 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 0.99 -2.53 -3.83 1.61 4.13 -1.26 -4.40 115.26 109.97 1a4j n ASN 35 Ca 0.00 0.29 -0.30 0.00 1.68 0.00 0.00 54.58 56.25 1a4j n ASN 35 Cb 0.00 -1.14 -0.15 0.00 -1.54 0.00 0.00 39.78 36.95 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 -2.34 1.47 -1.40 3.41 2.01 -1.26 -0.73 115.64 116.80 1a4j s THR 36 Ca 0.55 -1.93 -0.15 0.00 0.31 0.00 0.00 61.69 60.46 1a4j s THR 36 Cb -0.20 -2.09 0.05 0.00 0.01 0.00 0.00 72.50 70.27 1a4j s THR 36 CO 0.69 -0.68 2.07 -1.22 -0.69 0.00 0.00 174.62 174.79 1a4j n TYR 37 N 4.42 3.87 -4.09 4.92 4.02 -1.23 -3.96 117.16 125.12 1a4j n TYR 37 Ca 0.02 -2.91 -0.33 0.00 -0.01 0.00 0.00 57.90 54.67 1a4j n TYR 37 Cb 0.41 -2.57 -0.15 0.00 -0.02 0.00 0.00 39.34 37.00 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 2.89 2.71 0.29 7.72 1.98 -1.26 -0.89 118.68 132.12 1a4j s LEU 38 Ca 0.50 -0.95 0.11 0.00 -2.89 0.00 0.00 54.13 50.89 1a4j s LEU 38 Cb 0.11 -1.52 -0.05 0.00 0.66 0.00 0.00 46.19 45.39 1a4j s LEU 38 CO -0.03 -0.08 -0.12 -1.00 -1.89 0.00 0.00 176.35 173.22 1a4j s HIS 39 N 1.22 2.41 -0.05 5.38 3.76 0.61 0.18 115.29 128.80 1a4j s HIS 39 Ca -0.01 -0.34 0.04 0.00 -0.15 0.00 0.00 55.06 54.60 1a4j s HIS 39 Cb -0.16 -1.13 0.00 0.00 1.11 0.00 0.00 32.58 32.40 1a4j s HIS 39 CO -0.09 0.66 -0.16 -1.58 -0.85 0.00 0.00 174.74 172.71 1a4j s TRP 40 N -2.49 1.67 0.14 1.40 0.52 0.15 -0.42 118.94 119.91 1a4j s TRP 40 Ca 0.31 -0.51 0.08 0.00 0.02 0.00 0.00 56.10 55.99 1a4j s TRP 40 Cb -0.04 -1.14 -0.04 0.00 -1.15 0.00 0.00 33.47 31.10 1a4j s TRP 40 CO 0.17 -0.20 -0.18 0.71 0.02 0.00 0.00 176.95 177.47 1a4j s TYR 41 N 0.17 1.72 -0.06 -1.98 1.51 0.17 -0.16 117.35 118.73 1a4j s TYR 41 Ca -0.07 -0.47 0.04 0.00 -1.01 0.00 0.00 57.07 55.56 1a4j s TYR 41 Cb -0.12 -0.88 -0.00 0.00 -0.11 0.00 0.00 41.96 40.84 1a4j s TYR 41 CO 0.03 0.26 -0.19 -1.17 -1.11 0.00 0.00 175.55 173.37 1a4j s LEU 42 N -2.44 1.93 -0.12 -1.29 2.96 -0.61 -0.08 118.68 119.03 1a4j s LEU 42 Ca 0.12 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.63 1a4j s LEU 42 Cb -0.07 -1.10 0.02 0.00 0.50 0.00 0.00 46.19 45.54 1a4j s LEU 42 CO 0.05 0.15 -0.15 -1.58 -1.32 0.00 0.00 176.35 173.50 1a4j s GLN 43 N 0.18 2.29 0.05 1.98 0.74 0.20 -0.90 119.66 124.20 1a4j s GLN 43 Ca -0.09 -0.58 0.01 0.00 0.05 0.00 0.00 55.36 54.75 1a4j s GLN 43 Cb -0.14 -1.98 -0.04 0.00 1.10 0.00 0.00 33.01 31.95 1a4j s GLN 43 CO 0.04 -0.10 0.15 0.15 -0.55 0.00 0.00 175.29 174.99 1a4j s LYS 44 N 1.09 3.23 -0.12 1.67 1.02 -1.26 -1.35 119.74 124.02 1a4j s LYS 44 Ca -0.04 -0.51 -0.41 0.00 0.02 0.00 0.00 55.97 55.03 1a4j s LYS 44 Cb -0.14 -2.93 -0.19 0.00 -0.52 0.00 0.00 37.83 34.04 1a4j s LYS 44 CO -0.04 0.61 1.27 -0.35 -0.92 0.00 0.00 175.35 175.93 1a4j n PRO 45 N 0.51 0.26 -0.12 -1.68 -0.04 -1.26 -0.09 135.00 132.57 1a4j n PRO 45 Ca -0.08 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1a4j n PRO 45 Cb 0.52 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 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 2.39 2.55 3.88 0.55 0.00 -1.26 -5.00 105.19 108.30 1a4j n GLY 46 Ca 0.23 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.01 2.84 0.40 1.61 -0.21 0.88 -5.12 119.66 120.06 1a4j s GLN 47 Ca 0.00 -1.20 -0.09 0.00 0.02 0.00 0.00 55.36 54.09 1a4j s GLN 47 Cb 0.00 -2.57 -0.06 0.00 1.00 0.00 0.00 33.01 31.38 1a4j s GLN 47 CO 0.00 0.12 0.75 -1.54 -2.12 0.00 0.00 175.29 172.50 1a4j s SER 48 N -4.02 6.48 1.01 5.90 1.04 -1.26 -4.51 113.70 118.34 1a4j s SER 48 Ca 0.41 1.06 -0.11 0.00 0.48 0.00 0.00 55.95 57.79 1a4j s SER 48 Cb -0.07 -2.29 0.19 0.00 0.10 0.00 0.00 66.02 63.94 1a4j s SER 48 CO 0.27 -0.40 1.01 -2.65 0.98 0.00 0.00 173.24 172.46 1a4j n PRO 49 N -1.38 -1.15 -3.75 4.02 -0.02 -1.26 -4.58 135.00 126.87 1a4j n PRO 49 Ca 0.02 -0.29 -0.17 0.00 -2.02 0.00 0.00 63.50 61.04 1a4j n PRO 49 Cb 0.54 -2.25 -0.17 0.00 -0.02 0.00 0.00 33.50 31.60 1a4j n PRO 49 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1a4j s LYS 50 N -4.45 -0.00 0.05 -0.52 3.01 -0.08 -4.95 119.74 112.80 1a4j s LYS 50 Ca 0.66 0.25 -0.30 0.00 -1.01 0.00 0.00 55.97 55.57 1a4j s LYS 50 Cb -0.23 -0.39 -0.08 0.00 -1.01 0.00 0.00 37.83 36.12 1a4j s LYS 50 CO 0.61 -0.23 1.64 -1.17 0.51 0.00 0.00 175.35 176.71 1a4j s LEU 51 N 1.51 4.36 -0.10 3.17 2.96 -1.26 -1.58 118.68 127.74 1a4j s LEU 51 Ca -0.03 2.43 -0.11 0.00 -0.22 0.00 0.00 54.13 56.19 1a4j s LEU 51 Cb -0.13 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.96 1a4j s LEU 51 CO -0.03 -0.88 -0.22 0.18 -1.32 0.00 0.00 176.35 174.08 1a4j n LEU 52 N 5.81 1.54 -4.18 -0.68 4.77 0.78 -4.75 117.00 120.29 1a4j n LEU 52 Ca 0.16 0.25 -0.27 0.00 -0.03 0.00 0.00 56.01 56.12 1a4j n LEU 52 Cb 0.41 -0.57 -0.16 0.00 -2.33 0.00 0.00 43.42 40.77 1a4j n LEU 52 CO 0.62 -0.28 -0.52 -0.63 -1.33 0.00 0.00 177.39 175.25 1a4j s ILE 53 N -2.51 1.57 0.15 -0.08 -1.09 -0.96 -0.95 121.20 117.33 1a4j s ILE 53 Ca -0.19 -0.81 0.08 0.00 -2.23 0.00 0.00 60.65 57.49 1a4j s ILE 53 Cb 0.04 -1.33 -0.04 0.00 -1.58 0.00 0.00 42.46 39.55 1a4j s ILE 53 CO 0.28 0.45 -0.17 -0.72 -1.23 0.00 0.00 174.94 173.54 1a4j s TYR 54 N -0.18 1.71 -1.38 3.97 -0.85 0.14 0.32 117.35 121.09 1a4j s TYR 54 Ca 0.00 -0.49 -0.07 0.00 -0.52 0.00 0.00 57.07 55.99 1a4j s TYR 54 Cb -0.10 -0.87 0.00 0.00 0.38 0.00 0.00 41.96 41.37 1a4j s TYR 54 CO 0.01 0.27 0.41 1.63 -1.52 0.00 0.00 175.55 176.36 1a4j n LYS 55 N 0.39 -2.11 0.00 -3.49 5.02 -1.06 -1.11 118.16 115.80 1a4j n LYS 55 Ca -0.14 0.30 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 1a4j n LYS 55 Cb 0.57 -4.03 0.00 0.00 -0.02 0.00 0.00 35.03 31.55 1a4j n LYS 55 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1a4j n VAL 56 N -4.49 0.00 -0.79 -0.18 0.31 0.13 -4.19 118.33 109.13 1a4j n VAL 56 Ca -0.26 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 1a4j n VAL 56 Cb 0.66 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.59 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 2.50 0.22 -4.65 4.52 3.41 -1.20 -3.38 113.62 115.03 1a4j n SER 57 Ca 0.00 -1.01 -0.42 0.00 -0.26 0.00 0.00 58.87 57.18 1a4j n SER 57 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 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 -0.01 6.92 -0.11 4.04 0.01 -0.27 -4.57 114.94 120.96 1a4j s ASN 58 Ca 0.00 1.14 -0.26 0.00 -0.71 0.00 0.00 52.86 53.03 1a4j s ASN 58 Cb 0.00 -2.46 -0.02 0.00 0.41 0.00 0.00 41.25 39.17 1a4j s ASN 58 CO 0.00 -0.53 0.85 -0.13 -1.51 0.00 0.00 177.10 175.79 1a4j s ARG 59 N 2.77 4.39 0.86 -0.60 0.52 -1.26 0.26 118.95 125.89 1a4j s ARG 59 Ca 0.38 1.11 -0.10 0.00 -0.52 0.00 0.00 55.73 56.59 1a4j s ARG 59 Cb -0.15 -3.52 0.11 0.00 0.52 0.00 0.00 34.95 31.91 1a4j s ARG 59 CO 0.08 -0.20 1.13 0.12 0.02 0.00 0.00 175.30 176.45 1a4j s PHE 60 N 1.66 1.97 0.10 -0.53 5.36 -0.12 -4.89 117.98 121.52 1a4j s PHE 60 Ca 0.42 1.71 -0.32 0.00 -0.96 0.00 0.00 56.93 57.77 1a4j s PHE 60 Cb -0.18 -3.24 -0.11 0.00 -0.34 0.00 0.00 43.02 39.15 1a4j s PHE 60 CO 0.17 -2.45 1.81 -1.13 -1.46 0.00 0.00 175.22 172.17 1a4j n SER 61 N -3.98 3.84 0.00 6.13 3.41 -1.26 -2.35 113.62 119.41 1a4j n SER 61 Ca 0.11 1.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.71 1a4j n SER 61 Cb 0.52 -1.51 0.00 0.00 -0.26 0.00 0.00 64.21 62.97 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 4.15 0.73 3.67 5.00 0.00 -1.26 -5.05 105.19 112.44 1a4j n GLY 62 Ca 0.19 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 -2.29 4.68 0.16 1.61 1.01 -0.99 -4.99 120.40 119.59 1a4j s VAL 63 Ca 0.00 1.99 -0.33 0.00 0.00 0.00 0.00 61.98 63.63 1a4j s VAL 63 Cb 0.00 -4.28 -0.16 0.00 0.00 0.00 0.00 36.38 31.94 1a4j s VAL 63 CO 0.00 -0.08 1.21 -2.65 0.00 0.00 0.00 175.10 173.58 1a4j n PRO 64 N 5.68 1.21 0.00 2.72 -0.02 -1.26 -4.85 135.00 138.48 1a4j n PRO 64 Ca 0.11 0.43 0.04 0.00 -2.02 0.00 0.00 63.50 62.06 1a4j n PRO 64 Cb 0.47 -1.96 0.24 0.00 -0.02 0.00 0.00 33.50 32.22 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 2.13 0.00 0.01 2.55 5.75 -1.26 -1.85 116.55 123.87 1a4j n ASP 65 Ca 0.15 -0.44 0.14 0.00 -0.01 0.00 0.00 54.79 54.64 1a4j n ASP 65 Cb 0.24 0.00 0.61 0.00 -1.03 0.00 0.00 41.12 40.94 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 -0.86 0.01 -3.43 0.11 1.85 -1.26 -4.67 116.66 108.42 1a4j n ARG 66 Ca 0.06 0.01 -0.38 0.00 -1.00 0.00 0.00 57.85 56.54 1a4j n ARG 66 Cb 0.03 -1.52 -0.09 0.00 -1.05 0.00 0.00 32.46 29.84 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 -3.01 3.31 0.02 2.89 0.08 -0.77 -1.06 117.98 119.43 1a4j s PHE 67 Ca 0.14 0.46 -0.04 0.00 0.12 0.00 0.00 56.93 57.61 1a4j s PHE 67 Cb 0.19 -2.51 -0.01 0.00 -0.57 0.00 0.00 43.02 40.11 1a4j s PHE 67 CO 0.53 -0.10 0.05 -1.54 -0.10 0.00 0.00 175.22 174.06 1a4j s SER 68 N 1.33 0.17 0.06 1.36 1.04 -0.33 -4.95 113.70 112.37 1a4j s SER 68 Ca 0.15 -0.44 0.06 0.00 0.48 0.00 0.00 55.95 56.20 1a4j s SER 68 Cb -0.15 0.16 -0.03 0.00 0.10 0.00 0.00 66.02 66.11 1a4j s SER 68 CO 0.08 -0.38 -0.16 -0.83 0.98 0.00 0.00 173.24 172.94 1a4j s GLY 69 N -1.64 0.92 0.30 7.32 0.00 -1.26 -0.25 107.32 112.71 1a4j s GLY 69 Ca -0.12 -0.99 0.05 0.00 0.00 0.00 0.00 44.72 43.66 1a4j s GLY 69 CO -0.01 -0.98 0.27 -1.35 0.00 0.00 0.00 173.10 171.02 1a4j s SER 70 N -1.52 1.28 0.00 1.64 1.04 0.54 -4.14 113.70 112.54 1a4j s SER 70 Ca 0.01 -1.65 0.00 0.00 0.48 0.00 0.00 55.95 54.79 1a4j s SER 70 Cb -0.09 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1a4j s SER 70 CO 0.02 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 173.82 1a4j n GLY 71 N -0.54 3.04 1.76 7.32 0.00 -1.26 -0.68 105.19 114.82 1a4j n GLY 71 Ca 0.06 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.10 1a4j n GLY 71 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a4j n SER 72 N 0.00 0.01 0.00 1.61 3.41 -1.10 -4.96 113.62 112.59 1a4j n SER 72 Ca 0.00 0.02 -0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1a4j n SER 72 Cb 0.00 0.01 -0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1a4j n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a4j n GLY 73 N 1.86 0.01 0.04 5.00 0.00 -1.26 -4.75 105.19 106.09 1a4j n GLY 73 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.02 1a4j n GLY 73 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a4j n THR 74 N -2.67 0.00 -4.38 2.61 -2.24 -1.26 -1.54 114.28 104.80 1a4j n THR 74 Ca -0.00 -0.49 -0.28 0.00 -2.27 0.00 0.00 64.05 61.01 1a4j n THR 74 Cb 0.01 1.02 -0.17 0.00 -2.10 0.00 0.00 70.33 69.09 1a4j n THR 74 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1a4j s ASP 75 N -0.32 2.31 0.08 3.42 1.01 -1.26 -0.88 116.67 121.03 1a4j s ASP 75 Ca 0.01 -0.39 0.04 0.00 0.71 0.00 0.00 52.55 52.92 1a4j s ASP 75 Cb 0.01 -1.02 -0.03 0.00 1.01 0.00 0.00 42.92 42.89 1a4j s ASP 75 CO 0.02 -0.00 -0.11 -0.36 0.21 0.00 0.00 175.17 174.93 1a4j s PHE 76 N 1.06 1.02 -0.01 4.23 0.40 0.05 -2.70 117.98 122.03 1a4j s PHE 76 Ca -0.06 -0.57 0.01 0.00 -0.60 0.00 0.00 56.93 55.71 1a4j s PHE 76 Cb -0.15 -0.57 0.01 0.00 0.51 0.00 0.00 43.02 42.82 1a4j s PHE 76 CO -0.02 -0.00 -0.01 0.99 0.70 0.00 0.00 175.22 176.88 1a4j s THR 77 N -1.88 0.14 -0.13 0.64 2.01 0.14 -1.01 115.64 115.56 1a4j s THR 77 Ca -0.00 -0.01 -0.03 0.00 0.31 0.00 0.00 61.69 61.96 1a4j s THR 77 Cb -0.06 -0.17 -0.03 0.00 0.01 0.00 0.00 72.50 72.25 1a4j s THR 77 CO 0.01 0.08 -0.03 -0.22 -0.69 0.00 0.00 174.62 173.76 1a4j s LEU 78 N 0.36 3.32 0.05 4.42 2.96 -0.23 -0.34 118.68 129.22 1a4j s LEU 78 Ca -0.03 -0.05 0.07 0.00 -0.22 0.00 0.00 54.13 53.90 1a4j s LEU 78 Cb -0.06 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 1a4j s LEU 78 CO -0.01 0.24 -0.21 -0.54 -1.32 0.00 0.00 176.35 174.52 1a4j s LYS 79 N -0.06 1.36 -0.25 1.98 1.02 0.66 -0.97 119.74 123.46 1a4j s LYS 79 Ca 0.02 -0.96 -0.00 0.00 0.02 0.00 0.00 55.97 55.05 1a4j s LYS 79 Cb -0.13 -1.48 0.08 0.00 -0.52 0.00 0.00 37.83 35.77 1a4j s LYS 79 CO 0.02 0.38 0.02 0.42 -0.92 0.00 0.00 175.35 175.27 1a4j s ILE 80 N -0.83 1.13 0.21 2.17 1.01 0.55 -1.19 121.20 124.24 1a4j s ILE 80 Ca 0.07 -1.19 -0.30 0.00 0.00 0.00 0.00 60.65 59.24 1a4j s ILE 80 Cb -0.09 -1.63 -0.08 0.00 0.01 0.00 0.00 42.46 40.67 1a4j s ILE 80 CO 0.02 -0.34 1.01 -0.55 0.00 0.00 0.00 174.94 175.07 1a4j s SER 81 N 1.54 7.47 -0.13 3.58 0.15 -0.23 -0.67 113.70 125.41 1a4j s SER 81 Ca 0.01 2.01 -0.03 0.00 0.70 0.00 0.00 55.95 58.65 1a4j s SER 81 Cb -0.18 -2.61 0.01 0.00 -1.71 0.00 0.00 66.02 61.53 1a4j s SER 81 CO -0.12 -0.02 0.05 0.54 1.20 0.00 0.00 173.24 174.89 1a4j n ARG 82 N 1.85 -2.38 -2.59 5.44 1.74 -1.07 -4.81 116.66 114.85 1a4j n ARG 82 Ca -0.00 2.05 -0.41 0.00 -0.77 0.00 0.00 57.85 58.72 1a4j n ARG 82 Cb 0.47 -3.14 -0.05 0.00 -1.02 0.00 0.00 32.46 28.72 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 -0.92 3.90 0.29 1.55 1.01 0.13 -4.74 120.40 121.62 1a4j s VAL 83 Ca -0.06 1.76 0.10 0.00 0.00 0.00 0.00 61.98 63.77 1a4j s VAL 83 Cb 0.00 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 1a4j s VAL 83 CO 0.41 0.36 -0.02 -1.61 0.00 0.00 0.00 175.10 174.23 1a4j s GLU 84 N -0.78 2.15 0.36 2.72 0.41 -1.26 -0.32 118.70 121.98 1a4j s GLU 84 Ca 0.46 -1.56 0.06 0.00 -0.41 0.00 0.00 54.97 53.52 1a4j s GLU 84 Cb -0.28 -2.05 0.73 0.00 -1.78 0.00 0.00 34.13 30.75 1a4j s GLU 84 CO 0.35 0.29 1.95 0.00 -0.49 0.00 0.00 175.26 177.36 1a4j h ALA 85 N 1.91 1.70 0.00 5.21 0.00 -2.00 -0.49 119.26 125.59 1a4j h ALA 85 Ca -0.43 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1a4j h ALA 85 Cb 1.25 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1a4j h ALA 85 CO 0.62 0.18 0.00 -0.85 0.00 0.00 0.00 179.25 179.20 1a4j n GLU 86 N -4.48 0.12 0.00 0.00 0.28 -1.26 -2.44 120.64 112.86 1a4j n GLU 86 Ca 0.11 0.14 0.13 0.00 -0.16 0.00 0.00 57.16 57.38 1a4j n GLU 86 Cb 0.23 -1.50 0.34 0.00 1.43 0.00 0.00 31.44 31.94 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 -1.41 0.50 -4.69 -1.84 8.00 -0.19 -4.91 116.55 112.02 1a4j n ASP 87 Ca 0.07 -0.26 -0.42 0.00 0.71 0.00 0.00 54.79 54.88 1a4j n ASP 87 Cb 0.19 0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.38 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 -2.90 4.29 0.00 0.64 1.43 -1.02 -4.89 118.68 116.23 1a4j s LEU 88 Ca 0.14 1.90 0.00 0.00 -1.03 0.00 0.00 54.13 55.14 1a4j s LEU 88 Cb 0.18 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.84 1a4j s LEU 88 CO 0.64 -0.63 0.00 0.61 0.23 0.00 0.00 176.35 177.20 1a4j n GLY 89 N 3.46 -0.54 3.52 -3.19 0.00 -1.24 -4.85 105.19 102.34 1a4j n GLY 89 Ca 0.12 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 44.96 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 -3.18 4.41 -0.21 1.61 1.01 -0.46 -0.96 120.40 122.62 1a4j s VAL 90 Ca 0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 61.98 61.72 1a4j s VAL 90 Cb 0.00 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.31 1a4j s VAL 90 CO 0.00 0.40 0.17 -0.31 0.00 0.00 0.00 175.10 175.36 1a4j s TYR 91 N 1.02 3.39 -0.06 5.22 1.51 0.11 -0.63 117.35 127.90 1a4j s TYR 91 Ca 0.03 0.34 0.05 0.00 -1.01 0.00 0.00 57.07 56.48 1a4j s TYR 91 Cb -0.14 -2.23 -0.02 0.00 -0.11 0.00 0.00 41.96 39.46 1a4j s TYR 91 CO 0.03 0.20 -0.19 -0.06 -1.11 0.00 0.00 175.55 174.41 1a4j s PHE 92 N 0.64 2.58 0.27 2.71 0.08 0.89 -0.81 117.98 124.33 1a4j s PHE 92 Ca 0.09 -0.45 0.04 0.00 0.12 0.00 0.00 56.93 56.73 1a4j s PHE 92 Cb -0.12 -1.63 -0.03 0.00 -0.57 0.00 0.00 43.02 40.67 1a4j s PHE 92 CO 0.01 -0.04 0.41 0.00 -0.10 0.00 0.00 175.22 175.51 1a4j s SER 94 N -4.00 -0.56 0.01 0.00 0.15 0.44 -0.42 113.70 109.31 1a4j s SER 94 Ca 0.36 0.96 0.06 0.00 0.70 0.00 0.00 55.95 58.03 1a4j s SER 94 Cb -0.09 0.96 -0.03 0.00 -1.71 0.00 0.00 66.02 65.15 1a4j s SER 94 CO 0.31 -0.30 -0.17 -1.58 1.20 0.00 0.00 173.24 172.70 1a4j s GLN 95 N -0.15 2.22 0.00 5.44 -0.44 -0.22 -0.29 119.66 126.22 1a4j s GLN 95 Ca -0.04 -0.89 0.00 0.00 -2.50 0.00 0.00 55.36 51.94 1a4j s GLN 95 Cb -0.03 -2.25 0.00 0.00 -1.64 0.00 0.00 33.01 29.08 1a4j s GLN 95 CO 0.03 0.57 0.74 0.45 0.50 0.00 0.00 175.29 177.57 1a4j n SER 96 N 1.79 0.97 -0.01 6.67 2.88 -0.07 -2.54 113.62 123.32 1a4j n SER 96 Ca -0.16 -1.48 -0.16 0.00 -1.33 0.00 0.00 58.87 55.73 1a4j n SER 96 Cb 0.52 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.87 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 1.52 1.50 -3.25 2.46 2.02 -1.87 -3.47 112.91 111.82 1a4j h THR 97 Ca 0.00 -2.06 -0.57 0.00 0.77 0.00 0.00 66.41 64.55 1a4j h THR 97 Cb 0.75 2.74 -0.03 0.00 -1.74 0.00 0.00 68.15 69.87 1a4j h THR 97 CO 0.00 0.58 -0.25 -1.00 0.37 0.00 0.00 175.52 175.22 1a4j s HIS 98 N -3.08 3.46 0.00 3.16 3.76 -1.26 -4.95 115.29 116.38 1a4j s HIS 98 Ca -0.15 0.66 0.00 0.00 -0.15 0.00 0.00 55.06 55.42 1a4j s HIS 98 Cb 0.02 -2.09 0.00 0.00 1.11 0.00 0.00 32.58 31.62 1a4j s HIS 98 CO 0.78 0.39 0.00 0.28 -0.85 0.00 0.00 174.74 175.34 1a4j n VAL 99 N 0.04 0.00 -3.63 -0.90 0.31 -1.26 -3.72 118.33 109.16 1a4j n VAL 99 Ca -0.02 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.95 1a4j n VAL 99 Cb 0.52 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.37 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 -0.10 4.15 0.10 5.55 0.04 -1.26 -5.04 135.00 138.44 1a4j s PRO 100 Ca 0.00 -0.14 -0.31 0.00 0.04 0.00 0.00 61.00 60.59 1a4j s PRO 100 Cb 0.00 -3.48 -0.10 0.00 0.04 0.00 0.00 34.50 30.96 1a4j s PRO 100 CO 0.00 0.15 1.82 -1.25 0.04 0.00 0.00 177.00 177.76 1a4j s PRO 101 N 0.77 4.15 0.20 0.56 0.04 -1.24 -4.77 135.00 134.70 1a4j s PRO 101 Ca 0.10 2.55 0.11 0.00 0.04 0.00 0.00 61.00 63.81 1a4j s PRO 101 Cb -0.13 -3.66 -0.04 0.00 0.04 0.00 0.00 34.50 30.71 1a4j s PRO 101 CO 0.03 -0.84 -0.22 0.95 0.04 0.00 0.00 177.00 176.96 1a4j s THR 102 N 2.91 2.22 0.16 1.26 -4.23 -1.05 -4.98 115.64 111.93 1a4j s THR 102 Ca 0.81 -2.07 0.07 0.00 -1.18 0.00 0.00 61.69 59.31 1a4j s THR 102 Cb -0.45 -2.08 -0.04 0.00 1.34 0.00 0.00 72.50 71.27 1a4j s THR 102 CO 0.36 -0.23 0.01 -0.36 -0.54 0.00 0.00 174.62 173.86 1a4j s PHE 103 N -1.95 2.89 1.04 3.99 0.40 -1.26 -1.06 117.98 122.02 1a4j s PHE 103 Ca 0.21 -0.11 -0.17 0.00 -0.60 0.00 0.00 56.93 56.26 1a4j s PHE 103 Cb -0.07 -1.41 0.23 0.00 0.51 0.00 0.00 43.02 42.28 1a4j s PHE 103 CO 0.10 0.51 1.27 0.20 0.70 0.00 0.00 175.22 177.99 1a4j s GLY 104 N -2.84 1.73 0.00 4.36 0.00 0.44 -4.60 107.32 106.41 1a4j s GLY 104 Ca 0.27 -1.16 0.29 0.00 0.00 0.00 0.00 44.72 44.12 1a4j s GLY 104 CO 0.19 -0.34 1.88 0.61 0.00 0.00 0.00 173.10 175.44 1a4j n GLY 105 N -2.97 -1.22 0.00 0.20 0.00 -1.25 -4.74 105.19 95.22 1a4j n GLY 105 Ca 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 1.36 1.43 2.91 -0.02 0.00 -1.26 -5.05 105.19 104.56 1a4j n GLY 106 Ca 0.11 -1.55 -0.27 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.37 1.01 -0.38 2.61 2.01 0.01 -4.68 115.64 114.85 1a4j s THR 107 Ca 0.00 -0.29 -0.21 0.00 0.31 0.00 0.00 61.69 61.50 1a4j s THR 107 Cb 0.00 -1.03 0.01 0.00 0.01 0.00 0.00 72.50 71.49 1a4j s THR 107 CO 0.00 0.36 0.68 -0.75 -0.69 0.00 0.00 174.62 174.23 1a4j s LYS 108 N 1.65 3.62 -0.11 4.92 2.36 -0.37 0.09 119.74 131.89 1a4j s LYS 108 Ca 0.04 0.04 -0.26 0.00 -2.55 0.00 0.00 55.97 53.23 1a4j s LYS 108 Cb -0.13 -3.84 -0.02 0.00 -1.05 0.00 0.00 37.83 32.79 1a4j s LYS 108 CO -0.07 -0.84 0.85 -1.17 1.55 0.00 0.00 175.35 175.67 1a4j s LEU 109 N 2.87 4.24 0.22 5.43 2.96 -0.13 0.28 118.68 134.55 1a4j s LEU 109 Ca 0.26 1.31 0.02 0.00 -0.22 0.00 0.00 54.13 55.50 1a4j s LEU 109 Cb -0.14 -3.30 -0.05 0.00 0.50 0.00 0.00 46.19 43.20 1a4j s LEU 109 CO 0.17 -0.33 0.04 -1.83 -1.32 0.00 0.00 176.35 173.08 1a4j s GLU 110 N 1.68 1.28 -0.19 1.98 -1.05 0.05 -3.68 118.70 118.76 1a4j s GLU 110 Ca 0.42 -1.66 -0.28 0.00 -0.15 0.00 0.00 54.97 53.31 1a4j s GLU 110 Cb -0.18 -0.31 -0.00 0.00 -0.44 0.00 0.00 34.13 33.20 1a4j s GLU 110 CO 0.17 -0.20 0.95 0.42 0.95 0.00 0.00 175.26 177.55 1a4j s ILE 111 N -3.67 4.77 -0.12 1.83 -1.09 -1.26 0.70 121.20 122.37 1a4j s ILE 111 Ca 0.31 1.87 -0.20 0.00 -2.23 0.00 0.00 60.65 60.40 1a4j s ILE 111 Cb 0.07 -4.24 -0.04 0.00 -1.58 0.00 0.00 42.46 36.67 1a4j s ILE 111 CO 0.09 -0.08 0.56 -0.75 -1.23 0.00 0.00 174.94 173.53 1a4j s LYS 112 N 2.66 4.34 0.00 2.79 2.20 0.52 -4.69 119.74 127.57 1a4j s LYS 112 Ca 0.42 0.58 0.00 0.00 -0.36 0.00 0.00 55.97 56.61 1a4j s LYS 112 Cb -0.16 -3.46 0.00 0.00 -1.51 0.00 0.00 37.83 32.70 1a4j s LYS 112 CO 0.10 0.07 0.00 2.89 -0.36 0.00 0.00 175.35 178.05 1a4j n ARG 113 N 3.91 0.24 -2.20 4.03 -4.01 -1.26 -4.62 116.66 112.75 1a4j n ARG 113 Ca -0.05 0.00 -0.32 0.00 -1.04 0.00 0.00 57.85 56.45 1a4j n ARG 113 Cb 0.51 0.00 -0.02 0.00 -3.04 0.00 0.00 32.46 29.92 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 -1.57 4.56 0.16 8.89 -4.23 -1.26 -5.00 115.64 117.19 1a4j s THR 114 Ca 0.00 1.09 -0.31 0.00 -1.18 0.00 0.00 61.69 61.28 1a4j s THR 114 Cb 0.00 -3.76 -0.09 0.00 1.34 0.00 0.00 72.50 69.99 1a4j s THR 114 CO 0.00 -0.84 1.52 -0.69 -0.54 0.00 0.00 174.62 174.06 1a4j s VAL 115 N -2.81 2.80 -0.12 2.29 1.01 -1.26 -4.78 120.40 117.53 1a4j s VAL 115 Ca 0.58 0.58 -0.01 0.00 0.00 0.00 0.00 61.98 63.13 1a4j s VAL 115 Cb -0.11 -3.37 0.03 0.00 0.00 0.00 0.00 36.38 32.93 1a4j s VAL 115 CO 0.39 0.05 -0.05 0.00 0.00 0.00 0.00 175.10 175.49 1a4j s ALA 116 N 1.08 1.25 0.45 5.51 0.00 0.09 -4.92 121.76 125.22 1a4j s ALA 116 Ca 0.68 -0.55 -0.22 0.00 0.00 0.00 0.00 51.96 51.87 1a4j s ALA 116 Cb -0.42 -0.95 -0.08 0.00 0.00 0.00 0.00 23.12 21.67 1a4j s ALA 116 CO 0.31 -0.54 1.06 0.00 0.00 0.00 0.00 175.76 176.60 1a4j s ALA 117 N 1.74 2.97 0.66 0.00 0.00 -1.26 -0.33 121.76 125.54 1a4j s ALA 117 Ca 0.04 0.70 -0.12 0.00 0.00 0.00 0.00 51.96 52.57 1a4j s ALA 117 Cb -0.13 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.70 1a4j s ALA 117 CO -0.08 -0.32 1.06 -1.25 0.00 0.00 0.00 175.76 175.17 1a4j s PRO 118 N -2.84 3.10 -0.25 0.00 0.04 -1.26 -4.64 135.00 129.14 1a4j s PRO 118 Ca 0.63 1.02 -0.10 0.00 0.04 0.00 0.00 61.00 62.59 1a4j s PRO 118 Cb -0.21 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.28 1a4j s PRO 118 CO 0.25 -0.97 0.16 -1.12 0.04 0.00 0.00 177.00 175.36 1a4j s SER 119 N -3.48 6.01 -0.24 6.66 0.01 -0.82 -4.81 113.70 117.03 1a4j s SER 119 Ca 0.60 0.05 -0.10 0.00 1.31 0.00 0.00 55.95 57.80 1a4j s SER 119 Cb -0.14 -2.10 -0.05 0.00 0.21 0.00 0.00 66.02 63.94 1a4j s SER 119 CO 0.49 0.02 0.15 -0.69 0.41 0.00 0.00 173.24 173.61 1a4j s VAL 120 N 1.34 5.20 0.02 3.43 1.01 -1.26 -0.29 120.40 129.85 1a4j s VAL 120 Ca 0.07 0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.24 1a4j s VAL 120 Cb -0.15 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 1a4j s VAL 120 CO 0.07 0.35 -0.19 -0.36 0.00 0.00 0.00 175.10 174.96 1a4j s PHE 121 N 1.12 1.70 -0.05 5.22 0.40 -0.30 -4.94 117.98 121.12 1a4j s PHE 121 Ca 0.07 -0.35 0.04 0.00 -0.60 0.00 0.00 56.93 56.09 1a4j s PHE 121 Cb -0.14 -1.04 -0.00 0.00 0.51 0.00 0.00 43.02 42.35 1a4j s PHE 121 CO 0.05 0.04 -0.18 -1.50 0.70 0.00 0.00 175.22 174.33 1a4j s ILE 122 N -0.67 1.50 -0.09 0.64 2.07 -1.26 0.19 121.20 123.58 1a4j s ILE 122 Ca 0.07 -0.74 0.04 0.00 -1.41 0.00 0.00 60.65 58.61 1a4j s ILE 122 Cb -0.08 -1.29 0.00 0.00 0.13 0.00 0.00 42.46 41.22 1a4j s ILE 122 CO 0.01 0.43 -0.22 -0.36 -1.91 0.00 0.00 174.94 172.89 1a4j s PHE 123 N 0.12 2.34 0.69 3.50 0.40 0.90 -5.01 117.98 120.92 1a4j s PHE 123 Ca -0.06 -0.92 -0.08 0.00 -0.60 0.00 0.00 56.93 55.27 1a4j s PHE 123 Cb -0.13 -1.58 0.05 0.00 0.51 0.00 0.00 43.02 41.87 1a4j s PHE 123 CO 0.03 -0.37 1.02 -2.14 0.70 0.00 0.00 175.22 174.46 1a4j s PRO 124 N 0.34 2.42 0.65 0.24 0.02 -1.26 -1.54 135.00 135.87 1a4j s PRO 124 Ca -0.16 -0.06 -0.15 0.00 0.02 0.00 0.00 61.00 60.64 1a4j s PRO 124 Cb -0.17 -2.15 -0.00 0.00 0.02 0.00 0.00 34.50 32.20 1a4j s PRO 124 CO 0.07 -1.13 1.11 -1.25 -0.33 0.00 0.00 177.00 175.48 1a4j s PRO 125 N -5.24 2.82 0.50 5.54 0.04 -1.14 -4.83 135.00 132.69 1a4j s PRO 125 Ca 0.59 1.41 -0.11 0.00 0.04 0.00 0.00 61.00 62.93 1a4j s PRO 125 Cb -0.11 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.42 1a4j s PRO 125 CO 0.46 -1.24 0.89 -1.54 0.04 0.00 0.00 177.00 175.62 1a4j s SER 126 N -2.51 6.43 0.27 6.66 1.04 -1.26 -4.93 113.70 119.40 1a4j s SER 126 Ca 0.68 1.27 -0.04 0.00 0.48 0.00 0.00 55.95 58.34 1a4j s SER 126 Cb -0.21 -2.39 0.34 0.00 0.10 0.00 0.00 66.02 63.86 1a4j s SER 126 CO 0.41 -0.59 1.93 0.44 0.98 0.00 0.00 173.24 176.40 1a4j h ASP 127 N 0.61 1.08 -0.98 7.02 3.32 -1.99 -1.67 116.42 123.81 1a4j h ASP 127 Ca -0.46 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 56.58 1a4j h ASP 127 Cb 1.19 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 40.43 1a4j h ASP 127 CO 0.62 0.77 0.65 1.05 -1.72 0.00 0.00 179.24 180.61 1a4j h GLU 128 N 1.27 1.28 0.16 3.56 9.09 -1.98 -0.24 114.58 127.71 1a4j h GLU 128 Ca 0.37 -0.08 -0.01 0.00 0.05 0.00 0.00 59.36 59.69 1a4j h GLU 128 Cb -0.08 -0.29 0.00 0.00 -1.65 0.00 0.00 28.75 26.73 1a4j h GLU 128 CO -0.10 0.84 -0.08 0.37 0.05 0.00 0.00 179.01 180.10 1a4j h GLN 129 N 1.31 -0.21 -0.82 1.06 4.15 -1.73 -3.15 115.11 115.72 1a4j h GLN 129 Ca 0.36 0.01 0.20 0.00 0.77 0.00 0.00 58.65 59.99 1a4j h GLN 129 Cb -0.14 0.05 -0.12 0.00 0.21 0.00 0.00 27.48 27.48 1a4j h GLN 129 CO -0.08 0.22 0.24 -0.07 -1.93 0.00 0.00 178.83 177.21 1a4j h LEU 130 N -0.76 0.07 -0.41 -2.39 3.38 -1.17 0.83 115.31 114.86 1a4j h LEU 130 Ca -0.02 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1a4j h LEU 130 Cb 0.52 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1a4j h LEU 130 CO 0.04 -0.07 0.18 1.17 0.09 0.00 0.00 178.44 179.85 1a4j n LYS 131 N -5.16 0.04 -0.33 1.13 4.81 -0.11 -0.39 118.16 118.14 1a4j n LYS 131 Ca 0.18 0.45 0.07 0.00 -0.87 0.00 0.00 58.31 58.14 1a4j n LYS 131 Cb 0.58 -1.82 0.21 0.00 0.02 0.00 0.00 35.03 34.02 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 -1.66 3.48 0.00 3.14 3.41 0.29 -4.98 113.62 117.30 1a4j n SER 132 Ca -0.00 -2.59 0.00 0.00 -0.26 0.00 0.00 58.87 56.02 1a4j n SER 132 Cb 0.19 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 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 -0.08 1.48 3.62 5.00 0.00 0.47 -5.04 105.19 110.64 1a4j n GLY 133 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.82 2.50 -0.23 2.61 -4.23 -1.24 -1.46 115.64 110.77 1a4j s THR 134 Ca 0.00 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.48 1a4j s THR 134 Cb 0.00 -2.79 0.12 0.00 1.34 0.00 0.00 72.50 71.17 1a4j s THR 134 CO 0.00 -0.18 0.32 0.00 -0.54 0.00 0.00 174.62 174.22 1a4j s ALA 135 N -2.55 -0.78 -0.15 3.99 0.00 -0.38 -2.99 121.76 118.90 1a4j s ALA 135 Ca 0.35 0.60 -0.05 0.00 0.00 0.00 0.00 51.96 52.86 1a4j s ALA 135 Cb 0.01 -1.57 -0.03 0.00 0.00 0.00 0.00 23.12 21.53 1a4j s ALA 135 CO 0.19 -1.28 0.00 -1.12 0.00 0.00 0.00 175.76 173.54 1a4j s SER 136 N 2.46 5.13 -0.16 0.00 0.01 -1.26 -1.63 113.70 118.25 1a4j s SER 136 Ca 0.10 -0.02 -0.02 0.00 1.31 0.00 0.00 55.95 57.33 1a4j s SER 136 Cb -0.15 -1.80 -0.01 0.00 0.21 0.00 0.00 66.02 64.26 1a4j s SER 136 CO -0.16 0.20 -0.10 -0.69 0.41 0.00 0.00 173.24 172.90 1a4j s VAL 137 N 0.19 3.19 -0.12 3.43 1.01 -0.21 -2.87 120.40 125.03 1a4j s VAL 137 Ca 0.00 -0.59 -0.00 0.00 0.00 0.00 0.00 61.98 61.39 1a4j s VAL 137 Cb -0.13 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 1a4j s VAL 137 CO 0.02 0.49 -0.11 -0.69 0.00 0.00 0.00 175.10 174.81 1a4j s VAL 138 N 0.70 3.26 -0.18 2.92 1.01 -0.59 0.39 120.40 127.90 1a4j s VAL 138 Ca -0.05 -0.60 -0.00 0.00 0.00 0.00 0.00 61.98 61.33 1a4j s VAL 138 Cb -0.15 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.87 1a4j s VAL 138 CO 0.02 0.53 -0.14 0.00 0.00 0.00 0.00 175.10 175.52 1a4j s LEU 140 N 1.07 3.29 -0.37 0.00 2.96 0.13 -0.54 118.68 125.23 1a4j s LEU 140 Ca -0.00 -0.13 -0.04 0.00 -0.22 0.00 0.00 54.13 53.74 1a4j s LEU 140 Cb -0.14 -1.80 0.08 0.00 0.50 0.00 0.00 46.19 44.82 1a4j s LEU 140 CO -0.04 0.15 0.13 -0.76 -1.32 0.00 0.00 176.35 174.51 1a4j s LEU 141 N 0.48 4.68 -0.11 -0.68 1.02 0.61 -1.15 118.68 123.54 1a4j s LEU 141 Ca -0.03 -1.59 -0.16 0.00 0.02 0.00 0.00 54.13 52.37 1a4j s LEU 141 Cb -0.14 -1.82 -0.05 0.00 0.02 0.00 0.00 46.19 44.20 1a4j s LEU 141 CO 0.02 -0.42 0.41 0.21 0.02 0.00 0.00 176.35 176.59 1a4j s ASN 142 N 1.62 6.63 -0.70 2.29 2.47 0.60 -1.20 114.94 126.66 1a4j s ASN 142 Ca 0.02 0.75 -0.10 0.00 0.42 0.00 0.00 52.86 53.94 1a4j s ASN 142 Cb -0.21 -2.25 0.02 0.00 -1.45 0.00 0.00 41.25 37.35 1a4j s ASN 142 CO -0.01 0.09 0.60 0.59 -3.72 0.00 0.00 177.10 174.64 1a4j n ASN 143 N 3.29 -4.78 -4.57 -4.21 5.03 -1.05 -1.95 115.26 107.02 1a4j n ASN 143 Ca -0.10 -0.74 -0.27 0.00 0.87 0.00 0.00 54.58 54.35 1a4j n ASN 143 Cb 0.52 -1.53 -0.11 0.00 -1.02 0.00 0.00 39.78 37.64 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 -2.53 2.43 -0.28 3.10 -0.12 0.84 -4.63 117.98 116.79 1a4j s PHE 144 Ca 0.10 -0.57 -0.23 0.00 -0.05 0.00 0.00 56.93 56.18 1a4j s PHE 144 Cb -0.01 -1.52 0.09 0.00 -0.63 0.00 0.00 43.02 40.95 1a4j s PHE 144 CO 0.86 0.52 0.82 -0.47 -0.05 0.00 0.00 175.22 176.90 1a4j s TYR 145 N -2.67 -0.73 1.06 3.49 6.14 0.56 -0.99 117.35 124.21 1a4j s TYR 145 Ca 0.33 1.68 -0.18 0.00 0.64 0.00 0.00 57.07 59.55 1a4j s TYR 145 Cb 0.05 0.36 0.27 0.00 0.42 0.00 0.00 41.96 43.06 1a4j s TYR 145 CO 0.17 -0.35 0.86 -0.35 0.64 0.00 0.00 175.55 176.51 1a4j n PRO 146 N 2.90 -3.16 0.22 4.97 -0.04 -1.26 -0.73 135.00 137.90 1a4j n PRO 146 Ca -0.15 -1.38 0.05 0.00 -0.04 0.00 0.00 63.50 61.98 1a4j n PRO 146 Cb 0.56 -1.40 0.50 0.00 -0.04 0.00 0.00 33.50 33.12 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 0.00 -6.51 0.54 2.43 -1.98 -3.44 114.38 105.42 1a4j h ARG 147 Ca -0.34 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.31 1a4j h ARG 147 Cb 1.05 0.00 0.04 0.00 -0.42 0.00 0.00 29.97 30.64 1a4j h ARG 147 CO 0.22 0.21 1.10 -1.21 -1.51 0.00 0.00 179.97 178.78 1a4j s GLU 148 N -4.51 4.14 0.16 0.20 8.01 -1.26 -4.97 118.70 120.48 1a4j s GLU 148 Ca -0.04 2.58 -0.12 0.00 0.01 0.00 0.00 54.97 57.40 1a4j s GLU 148 Cb 0.15 -3.58 0.01 0.00 -4.31 0.00 0.00 34.13 26.40 1a4j s GLU 148 CO 0.69 -0.83 0.36 0.00 0.01 0.00 0.00 175.26 175.49 1a4j s ALA 149 N 2.69 -0.40 -0.08 5.21 0.00 -1.26 -4.42 121.76 123.51 1a4j s ALA 149 Ca 0.80 -0.58 -0.02 0.00 0.00 0.00 0.00 51.96 52.16 1a4j s ALA 149 Cb -0.46 0.80 0.04 0.00 0.00 0.00 0.00 23.12 23.50 1a4j s ALA 149 CO 0.36 -0.68 0.05 0.21 0.00 0.00 0.00 175.76 175.70 1a4j s LYS 150 N -3.91 0.11 -0.30 0.00 2.36 -0.88 -4.97 119.74 112.15 1a4j s LYS 150 Ca 0.12 0.21 0.01 0.00 -2.55 0.00 0.00 55.97 53.76 1a4j s LYS 150 Cb 0.02 -0.91 0.06 0.00 -1.05 0.00 0.00 37.83 35.96 1a4j s LYS 150 CO -0.03 -0.40 -0.03 0.08 1.55 0.00 0.00 175.35 176.52 1a4j s VAL 151 N 2.11 2.60 -0.20 4.02 1.01 -1.26 0.27 120.40 128.95 1a4j s VAL 151 Ca 0.04 -1.63 -0.07 0.00 0.00 0.00 0.00 61.98 60.32 1a4j s VAL 151 Cb -0.13 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 1a4j s VAL 151 CO -0.05 -0.17 0.05 -1.10 0.00 0.00 0.00 175.10 173.84 1a4j s GLN 152 N 1.15 3.82 0.28 2.72 -1.52 0.26 -4.89 119.66 121.48 1a4j s GLN 152 Ca -0.04 -0.41 -0.08 0.00 -1.95 0.00 0.00 55.36 52.87 1a4j s GLN 152 Cb -0.20 -3.22 -0.06 0.00 -0.22 0.00 0.00 33.01 29.30 1a4j s GLN 152 CO -0.04 0.10 0.59 -1.58 -0.25 0.00 0.00 175.29 174.12 1a4j s TRP 153 N 0.83 3.45 -0.09 0.91 0.52 -1.26 0.23 118.94 123.53 1a4j s TRP 153 Ca 0.03 0.83 -0.04 0.00 0.02 0.00 0.00 56.10 56.94 1a4j s TRP 153 Cb -0.14 -2.25 0.05 0.00 -1.15 0.00 0.00 33.47 29.98 1a4j s TRP 153 CO 0.02 0.17 0.21 0.15 0.02 0.00 0.00 176.95 177.52 1a4j s LYS 154 N -3.23 0.14 -0.32 4.98 1.02 0.71 -1.44 119.74 121.60 1a4j s LYS 154 Ca 0.47 0.52 -0.02 0.00 0.02 0.00 0.00 55.97 56.96 1a4j s LYS 154 Cb -0.11 -0.15 0.06 0.00 -0.52 0.00 0.00 37.83 37.11 1a4j s LYS 154 CO 0.25 -0.21 0.03 0.08 -0.92 0.00 0.00 175.35 174.59 1a4j s VAL 155 N 1.58 3.06 -1.29 3.17 1.01 -0.11 -1.02 120.40 126.80 1a4j s VAL 155 Ca -0.06 -1.47 -0.02 0.00 0.00 0.00 0.00 61.98 60.44 1a4j s VAL 155 Cb -0.11 -2.81 0.01 0.00 0.00 0.00 0.00 36.38 33.47 1a4j s VAL 155 CO -0.07 -0.19 0.87 0.47 0.00 0.00 0.00 175.10 176.18 1a4j n ASP 156 N 4.62 -2.21 0.00 3.32 8.00 0.28 -1.69 116.55 128.88 1a4j n ASP 156 Ca -0.11 -0.72 0.00 0.00 0.71 0.00 0.00 54.79 54.67 1a4j n ASP 156 Cb 0.43 -4.53 0.00 0.00 -0.02 0.00 0.00 41.12 37.01 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 -3.06 0.00 -4.65 -2.24 2.85 -1.26 -4.97 115.26 101.93 1a4j n ASN 157 Ca -0.24 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 53.81 1a4j n ASN 157 Cb 0.65 -1.01 -0.04 0.00 1.24 0.00 0.00 39.78 40.62 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 -2.05 3.61 0.15 5.20 0.00 -0.68 -4.99 121.76 123.01 1a4j s ALA 158 Ca 0.00 -0.12 -0.31 0.00 0.00 0.00 0.00 51.96 51.53 1a4j s ALA 158 Cb 0.00 -3.24 -0.10 0.00 0.00 0.00 0.00 23.12 19.78 1a4j s ALA 158 CO 0.00 -0.84 1.62 -1.17 0.00 0.00 0.00 175.76 175.37 1a4j s LEU 159 N 2.62 4.37 0.38 0.00 2.96 -1.26 -0.94 118.68 126.81 1a4j s LEU 159 Ca 0.35 2.64 -0.04 0.00 -0.22 0.00 0.00 54.13 56.85 1a4j s LEU 159 Cb -0.16 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.90 1a4j s LEU 159 CO 0.09 -0.86 0.65 -1.10 -1.32 0.00 0.00 176.35 173.80 1a4j s GLN 160 N 1.50 3.58 -0.25 1.98 -1.52 -0.52 -4.93 119.66 119.49 1a4j s GLN 160 Ca 0.72 0.03 -0.26 0.00 -1.95 0.00 0.00 55.36 53.90 1a4j s GLN 160 Cb -0.44 -2.53 0.07 0.00 -0.22 0.00 0.00 33.01 29.89 1a4j s GLN 160 CO 0.32 0.03 0.74 -1.54 -0.25 0.00 0.00 175.29 174.59 1a4j s SER 161 N -3.69 -0.72 0.00 5.90 1.04 -1.26 -4.67 113.70 110.30 1a4j s SER 161 Ca 0.45 1.33 0.00 0.00 0.48 0.00 0.00 55.95 58.21 1a4j s SER 161 Cb -0.10 1.33 0.00 0.00 0.10 0.00 0.00 66.02 67.35 1a4j s SER 161 CO 0.36 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.92 1a4j n GLY 162 N 2.48 1.81 1.26 7.32 0.00 -1.26 -4.82 105.19 111.98 1a4j n GLY 162 Ca -0.14 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 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 3.48 -4.01 1.61 6.94 -1.26 -4.99 115.26 117.02 1a4j n ASN 163 Ca 0.00 -3.39 -0.11 0.00 -0.02 0.00 0.00 54.58 51.06 1a4j n ASN 163 Cb 0.00 -0.63 -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 -1.99 0.52 -0.01 0.53 1.04 -1.26 -1.76 113.70 110.77 1a4j s SER 164 Ca 0.46 -0.49 0.05 0.00 0.48 0.00 0.00 55.95 56.45 1a4j s SER 164 Cb 0.39 0.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.56 1a4j s SER 164 CO 0.06 -0.23 -0.15 -1.10 0.98 0.00 0.00 173.24 172.79 1a4j s GLN 165 N -1.41 1.28 0.03 4.02 -0.21 -0.36 -4.95 119.66 118.05 1a4j s GLN 165 Ca -0.12 -0.55 0.06 0.00 0.02 0.00 0.00 55.36 54.77 1a4j s GLN 165 Cb -0.09 -1.23 -0.02 0.00 1.00 0.00 0.00 33.01 32.66 1a4j s GLN 165 CO -0.00 0.32 -0.19 -1.83 -2.12 0.00 0.00 175.29 171.47 1a4j s GLU 166 N -0.33 1.31 0.11 2.91 -1.05 -1.26 -0.00 118.70 120.39 1a4j s GLU 166 Ca 0.05 -0.82 0.10 0.00 -0.15 0.00 0.00 54.97 54.15 1a4j s GLU 166 Cb -0.06 -1.36 -0.04 0.00 -0.44 0.00 0.00 34.13 32.22 1a4j s GLU 166 CO -0.00 0.35 -0.26 0.45 0.95 0.00 0.00 175.26 176.75 1a4j s SER 167 N -0.96 3.22 -0.02 0.83 0.15 0.39 -4.98 113.70 112.33 1a4j s SER 167 Ca 0.06 -0.71 0.02 0.00 0.70 0.00 0.00 55.95 56.02 1a4j s SER 167 Cb -0.08 -0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.00 1a4j s SER 167 CO 0.01 0.19 -0.07 0.54 1.20 0.00 0.00 173.24 175.11 1a4j s VAL 168 N -1.01 0.62 0.71 4.45 0.11 -1.26 -0.95 120.40 123.07 1a4j s VAL 168 Ca 0.13 -0.28 -0.11 0.00 -2.93 0.00 0.00 61.98 58.78 1a4j s VAL 168 Cb -0.10 -0.55 0.02 0.00 -1.53 0.00 0.00 36.38 34.22 1a4j s VAL 168 CO 0.05 0.20 1.10 0.42 -3.33 0.00 0.00 175.10 173.53 1a4j s THR 169 N 0.16 3.45 0.54 5.04 -4.23 -0.18 -4.99 115.64 115.43 1a4j s THR 169 Ca -0.02 0.47 -0.16 0.00 -1.18 0.00 0.00 61.69 60.80 1a4j s THR 169 Cb -0.07 -3.44 -0.06 0.00 1.34 0.00 0.00 72.50 70.26 1a4j s THR 169 CO 0.00 -0.61 1.01 -1.61 -0.54 0.00 0.00 174.62 172.87 1a4j s GLU 170 N -5.34 3.73 0.16 3.99 0.41 -1.26 -4.53 118.70 115.87 1a4j s GLU 170 Ca 0.58 1.06 -0.33 0.00 -0.41 0.00 0.00 54.97 55.87 1a4j s GLU 170 Cb -0.11 -2.10 -0.16 0.00 -1.78 0.00 0.00 34.13 29.98 1a4j s GLU 170 CO 0.52 -0.46 1.10 0.94 -0.49 0.00 0.00 175.26 176.87 1a4j n GLN 171 N -1.70 0.98 -2.23 1.61 7.27 -1.26 -4.81 117.38 117.24 1a4j n GLN 171 Ca 0.07 0.35 -0.41 0.00 0.07 0.00 0.00 57.00 57.09 1a4j n GLN 171 Cb 0.54 -1.80 -0.03 0.00 2.41 0.00 0.00 30.24 31.36 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 -0.10 6.94 0.13 1.69 2.15 0.53 -4.89 116.67 123.12 1a4j s ASP 172 Ca 0.73 2.53 -0.15 0.00 0.43 0.00 0.00 52.55 56.09 1a4j s ASP 172 Cb -0.89 -2.64 -0.00 0.00 -0.30 0.00 0.00 42.92 39.09 1a4j s ASP 172 CO 0.53 -0.42 1.66 0.77 -0.17 0.00 0.00 175.17 177.55 1a4j h SER 173 N 3.75 0.59 0.17 -0.34 4.64 -1.91 0.14 113.55 120.59 1a4j h SER 173 Ca -0.48 -0.19 -0.01 0.00 -0.47 0.00 0.00 61.79 60.64 1a4j h SER 173 Cb 1.22 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1a4j h SER 173 CO 0.67 0.62 -0.08 0.11 -0.87 0.00 0.00 176.83 177.29 1a4j h LYS 174 N 0.52 -0.21 -0.21 4.77 1.79 -2.00 -3.39 116.57 117.84 1a4j h LYS 174 Ca 0.13 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1a4j h LYS 174 Cb 0.24 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 1a4j h LYS 174 CO -0.01 0.09 0.00 -0.40 -1.08 0.00 0.00 179.45 178.06 1a4j n ASP 175 N -4.91 3.10 -1.34 0.86 5.68 -1.25 -4.99 116.55 113.70 1a4j n ASP 175 Ca -0.06 -1.93 -0.18 0.00 -0.50 0.00 0.00 54.79 52.12 1a4j n ASP 175 Cb 0.20 -0.13 -0.08 0.00 -1.14 0.00 0.00 41.12 39.98 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 1.30 -5.52 -4.13 -1.12 7.64 0.50 -4.92 113.62 107.37 1a4j n SER 176 Ca 0.16 0.43 -0.17 0.00 1.01 0.00 0.00 58.87 60.30 1a4j n SER 176 Cb 0.56 -4.56 0.08 0.00 -1.01 0.00 0.00 64.21 59.27 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 -2.36 0.00 -4.23 0.44 -2.24 -1.26 -4.54 114.28 100.09 1a4j n THR 177 Ca -0.18 -1.36 -0.16 0.00 -2.27 0.00 0.00 64.05 60.09 1a4j n THR 177 Cb 0.64 -0.84 -0.11 0.00 -2.10 0.00 0.00 70.33 67.93 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 -2.15 1.29 0.11 4.78 2.02 -0.16 -0.35 117.35 122.90 1a4j s TYR 178 Ca 0.50 -0.64 0.04 0.00 -0.37 0.00 0.00 57.07 56.61 1a4j s TYR 178 Cb -0.03 -0.67 -0.04 0.00 -0.40 0.00 0.00 41.96 40.82 1a4j s TYR 178 CO 0.33 0.10 -0.11 -1.12 -1.57 0.00 0.00 175.55 173.18 1a4j s SER 179 N -2.71 1.68 -0.08 2.29 0.01 -1.26 -0.11 113.70 113.51 1a4j s SER 179 Ca 0.11 -0.85 -0.12 0.00 1.31 0.00 0.00 55.95 56.40 1a4j s SER 179 Cb -0.02 -0.02 0.03 0.00 0.21 0.00 0.00 66.02 66.22 1a4j s SER 179 CO 0.02 -0.24 0.31 -0.22 0.41 0.00 0.00 173.24 173.52 1a4j s LEU 180 N -2.58 0.82 -0.05 2.44 0.20 -0.34 -1.01 118.68 118.15 1a4j s LEU 180 Ca 0.09 0.45 0.05 0.00 0.69 0.00 0.00 54.13 55.40 1a4j s LEU 180 Cb -0.02 1.15 -0.01 0.00 -0.43 0.00 0.00 46.19 46.88 1a4j s LEU 180 CO 0.01 -0.23 -0.22 -0.94 -0.29 0.00 0.00 176.35 174.69 1a4j s SER 181 N -0.35 2.68 -0.14 3.68 1.04 -0.13 -0.28 113.70 120.20 1a4j s SER 181 Ca -0.05 -0.45 0.02 0.00 0.48 0.00 0.00 55.95 55.95 1a4j s SER 181 Cb -0.03 -0.78 0.01 0.00 0.10 0.00 0.00 66.02 65.32 1a4j s SER 181 CO 0.02 0.20 -0.19 -0.55 0.98 0.00 0.00 173.24 173.69 1a4j s SER 182 N -0.04 2.93 -0.17 7.02 0.15 0.30 -0.46 113.70 123.44 1a4j s SER 182 Ca -0.05 -0.56 -0.03 0.00 0.70 0.00 0.00 55.95 56.01 1a4j s SER 182 Cb -0.13 -1.35 -0.02 0.00 -1.71 0.00 0.00 66.02 62.81 1a4j s SER 182 CO 0.03 0.04 -0.06 -0.89 1.20 0.00 0.00 173.24 173.57 1a4j s THR 183 N 1.01 3.59 -0.27 6.45 2.01 0.99 -0.22 115.64 129.20 1a4j s THR 183 Ca -0.03 -0.45 -0.10 0.00 0.31 0.00 0.00 61.69 61.41 1a4j s THR 183 Cb -0.15 -2.58 -0.05 0.00 0.01 0.00 0.00 72.50 69.74 1a4j s THR 183 CO -0.05 0.48 0.17 -0.22 -0.69 0.00 0.00 174.62 174.31 1a4j s LEU 184 N 0.67 3.96 -0.13 4.42 2.96 0.16 -1.23 118.68 129.50 1a4j s LEU 184 Ca -0.03 -0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 53.86 1a4j s LEU 184 Cb -0.15 -2.09 -0.02 0.00 0.50 0.00 0.00 46.19 44.43 1a4j s LEU 184 CO 0.02 -0.02 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.06 1a4j s THR 185 N 1.58 3.51 0.06 3.68 2.01 -0.72 -1.05 115.64 124.72 1a4j s THR 185 Ca 0.07 -0.51 -0.04 0.00 0.31 0.00 0.00 61.69 61.52 1a4j s THR 185 Cb -0.15 -2.49 -0.02 0.00 0.01 0.00 0.00 72.50 69.84 1a4j s THR 185 CO 0.09 0.53 0.05 -0.76 -0.69 0.00 0.00 174.62 173.84 1a4j s LEU 186 N 0.13 2.06 0.66 4.42 1.43 -0.65 -4.88 118.68 121.85 1a4j s LEU 186 Ca -0.04 -0.79 -0.13 0.00 -1.03 0.00 0.00 54.13 52.14 1a4j s LEU 186 Cb -0.14 0.50 -0.00 0.00 0.03 0.00 0.00 46.19 46.57 1a4j s LEU 186 CO 0.04 -0.60 1.07 -0.94 0.23 0.00 0.00 176.35 176.15 1a4j s SER 187 N -2.68 5.37 0.18 2.29 1.04 -1.26 -1.25 113.70 117.39 1a4j s SER 187 Ca 0.03 1.79 -0.13 0.00 0.48 0.00 0.00 55.95 58.12 1a4j s SER 187 Cb 0.05 -2.52 0.10 0.00 0.10 0.00 0.00 66.02 63.75 1a4j s SER 187 CO -0.09 -1.45 1.82 0.50 0.98 0.00 0.00 173.24 175.00 1a4j h LYS 188 N -0.20 0.63 -0.05 4.02 3.64 -1.49 0.04 116.57 123.16 1a4j h LYS 188 Ca -0.45 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 58.90 1a4j h LYS 188 Cb 1.22 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1a4j h LYS 188 CO 0.56 0.41 -0.01 0.00 -2.27 0.00 0.00 179.45 178.14 1a4j h ALA 189 N 1.23 0.03 -0.65 5.00 0.00 -1.92 0.16 119.26 123.12 1a4j h ALA 189 Ca 0.21 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1a4j h ALA 189 Cb 0.01 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1a4j h ALA 189 CO -0.09 -0.49 0.37 -0.44 0.00 0.00 0.00 179.25 178.60 1a4j h ASP 190 N 0.00 0.78 -0.59 0.00 3.32 -1.88 -1.35 116.42 116.71 1a4j h ASP 190 Ca 0.02 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 1a4j h ASP 190 Cb 0.03 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 1a4j h ASP 190 CO -0.05 0.62 0.20 0.22 -1.72 0.00 0.00 179.24 178.52 1a4j h TYR 191 N 0.90 0.93 0.00 4.55 3.20 -0.14 -1.38 116.97 125.02 1a4j h TYR 191 Ca 0.23 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1a4j h TYR 191 Cb -0.00 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.00 1a4j h TYR 191 CO 0.00 0.76 0.00 0.39 -1.64 0.00 0.00 178.16 177.68 1a4j n GLU 192 N -4.44 0.98 0.00 1.82 1.02 0.48 -2.88 120.64 117.63 1a4j n GLU 192 Ca 0.03 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.30 1a4j n GLU 192 Cb 0.19 -1.45 0.37 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 -0.95 0.89 -4.25 3.49 4.81 -0.52 -4.95 118.16 116.69 1a4j n LYS 193 Ca 0.21 -0.53 -0.14 0.00 -0.87 0.00 0.00 58.31 56.98 1a4j n LYS 193 Cb 0.10 -1.49 -0.10 0.00 0.02 0.00 0.00 35.03 33.56 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 -2.47 1.25 0.00 5.64 3.76 -1.14 -5.08 115.29 117.25 1a4j s HIS 194 Ca 0.25 -1.09 0.00 0.00 -0.15 0.00 0.00 55.06 54.07 1a4j s HIS 194 Cb 0.19 -0.72 0.00 0.00 1.11 0.00 0.00 32.58 33.17 1a4j s HIS 194 CO 0.51 -0.28 0.00 1.17 -0.85 0.00 0.00 174.74 175.29 1a4j n LYS 195 N -0.28 0.00 -2.92 1.40 4.81 -1.26 -4.66 118.16 115.25 1a4j n LYS 195 Ca -0.05 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 56.99 1a4j n LYS 195 Cb 0.64 -0.06 -0.04 0.00 0.02 0.00 0.00 35.03 35.59 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 0.00 4.95 -0.17 3.15 -7.23 -1.26 -3.96 120.40 115.89 1a4j s VAL 196 Ca 0.00 1.68 0.01 0.00 -1.81 0.00 0.00 61.98 61.87 1a4j s VAL 196 Cb 0.00 -4.15 0.02 0.00 0.56 0.00 0.00 36.38 32.81 1a4j s VAL 196 CO 0.00 0.23 -0.21 -0.31 -0.31 0.00 0.00 175.10 174.51 1a4j s TYR 197 N 0.79 2.74 -0.08 2.82 2.02 -0.93 0.10 117.35 124.81 1a4j s TYR 197 Ca 0.43 -1.52 -0.08 0.00 -0.37 0.00 0.00 57.07 55.52 1a4j s TYR 197 Cb -0.19 -1.88 0.02 0.00 -0.40 0.00 0.00 41.96 39.51 1a4j s TYR 197 CO 0.22 -0.73 0.23 0.00 -1.57 0.00 0.00 175.55 173.70 1a4j s ALA 198 N 1.11 -0.57 -0.12 3.71 0.00 -0.18 -2.03 121.76 123.68 1a4j s ALA 198 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.57 1a4j s ALA 198 Cb -0.14 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.62 1a4j s ALA 198 CO -0.09 -0.12 -0.12 0.00 0.00 0.00 0.00 175.76 175.43 1a4j s GLU 200 N 0.14 3.21 -0.14 0.00 2.12 0.14 -2.04 118.70 122.13 1a4j s GLU 200 Ca -0.06 -0.77 -0.10 0.00 0.36 0.00 0.00 54.97 54.40 1a4j s GLU 200 Cb -0.15 -3.26 -0.05 0.00 0.26 0.00 0.00 34.13 30.94 1a4j s GLU 200 CO 0.05 -0.35 0.18 0.08 -0.54 0.00 0.00 175.26 174.68 1a4j s VAL 201 N 1.50 5.40 -0.32 3.70 1.01 0.23 -0.58 120.40 131.34 1a4j s VAL 201 Ca 0.03 0.31 -0.01 0.00 0.00 0.00 0.00 61.98 62.32 1a4j s VAL 201 Cb -0.16 -3.48 0.10 0.00 0.00 0.00 0.00 36.38 32.83 1a4j s VAL 201 CO 0.01 0.53 0.10 0.42 0.00 0.00 0.00 175.10 176.16 1a4j s THR 202 N -0.38 0.93 0.11 3.92 -4.23 0.14 -0.01 115.64 116.12 1a4j s THR 202 Ca 0.14 -1.47 0.11 0.00 -1.18 0.00 0.00 61.69 59.29 1a4j s THR 202 Cb -0.12 -1.71 -0.04 0.00 1.34 0.00 0.00 72.50 71.97 1a4j s THR 202 CO 0.03 -0.68 -0.27 -2.28 -0.54 0.00 0.00 174.62 170.88 1a4j s HIS 203 N 1.55 2.31 0.35 3.99 5.65 -1.26 -2.08 115.29 125.81 1a4j s HIS 203 Ca 0.10 -0.39 0.18 0.00 0.25 0.00 0.00 55.06 55.21 1a4j s HIS 203 Cb -0.18 -1.28 1.00 0.00 -1.18 0.00 0.00 32.58 30.94 1a4j s HIS 203 CO -0.24 0.29 1.51 -0.56 -0.65 0.00 0.00 174.74 175.09 1a4j h GLN 204 N 4.11 0.00 -0.00 2.88 3.07 -1.92 0.30 115.11 123.54 1a4j h GLN 204 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.24 1a4j h GLN 204 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.72 1a4j h GLN 204 CO 0.40 0.00 -0.58 0.41 0.09 0.00 0.00 178.83 179.15 1a4j n GLY 205 N -1.27 -1.20 3.87 0.06 0.00 -1.26 -4.88 105.19 100.51 1a4j n GLY 205 Ca -0.01 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.99 4.35 0.08 0.99 1.43 0.10 -4.46 118.68 118.19 1a4j s LEU 206 Ca 0.11 0.78 -0.18 0.00 -1.03 0.00 0.00 54.13 53.81 1a4j s LEU 206 Cb 0.17 -2.96 -0.09 0.00 0.03 0.00 0.00 46.19 43.34 1a4j s LEU 206 CO 0.73 0.18 1.48 0.77 0.23 0.00 0.00 176.35 179.73 1a4j h SER 207 N 3.73 0.49 -4.55 2.29 4.64 -1.90 -3.45 113.55 114.80 1a4j h SER 207 Ca -0.49 -0.36 -0.17 0.00 -0.47 0.00 0.00 61.79 60.30 1a4j h SER 207 Cb 1.19 -0.13 -0.23 0.00 -0.31 0.00 0.00 62.40 62.92 1a4j h SER 207 CO 0.66 0.74 -0.55 -0.94 -0.87 0.00 0.00 176.83 175.88 1a4j s SER 208 N -6.08 0.00 0.08 4.97 1.04 -1.26 -5.11 113.70 107.33 1a4j s SER 208 Ca -0.13 -0.09 -0.36 0.00 0.48 0.00 0.00 55.95 55.85 1a4j s SER 208 Cb 0.07 0.21 -0.19 0.00 0.10 0.00 0.00 66.02 66.22 1a4j s SER 208 CO 0.76 -0.24 0.95 -2.65 0.98 0.00 0.00 173.24 173.03 1a4j n PRO 209 N 2.02 0.18 -4.10 4.02 -0.02 -1.26 -4.94 135.00 130.90 1a4j n PRO 209 Ca -0.19 0.06 -0.35 0.00 -2.02 0.00 0.00 63.50 61.00 1a4j n PRO 209 Cb 0.57 -1.44 -0.07 0.00 -0.02 0.00 0.00 33.50 32.54 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 -0.26 4.91 -0.04 -1.45 1.01 0.98 -4.91 120.40 120.63 1a4j s VAL 210 Ca 0.82 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.67 1a4j s VAL 210 Cb -1.12 -3.16 0.01 0.00 0.00 0.00 0.00 36.38 32.11 1a4j s VAL 210 CO 0.56 0.51 -0.09 0.42 0.00 0.00 0.00 175.10 176.49 1a4j s THR 211 N -1.06 0.86 0.02 3.92 -4.23 -1.26 0.74 115.64 114.63 1a4j s THR 211 Ca 0.18 -0.35 0.05 0.00 -1.18 0.00 0.00 61.69 60.39 1a4j s THR 211 Cb -0.12 -0.80 -0.03 0.00 1.34 0.00 0.00 72.50 72.89 1a4j s THR 211 CO 0.08 0.28 -0.12 -0.54 -0.54 0.00 0.00 174.62 173.78 1a4j s LYS 212 N 0.55 2.33 0.30 3.99 -0.14 -0.87 -4.98 119.74 120.93 1a4j s LYS 212 Ca -0.10 -0.84 -0.16 0.00 -1.36 0.00 0.00 55.97 53.51 1a4j s LYS 212 Cb -0.13 -2.35 0.02 0.00 -1.68 0.00 0.00 37.83 33.69 1a4j s LYS 212 CO 0.02 0.57 0.67 -1.54 -0.76 0.00 0.00 175.35 174.31 1a4j s SER 213 N -1.42 -0.07 0.10 2.83 1.04 -1.26 -2.23 113.70 112.68 1a4j s SER 213 Ca 0.16 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 55.71 1a4j s SER 213 Cb -0.11 0.72 -0.00 0.00 0.10 0.00 0.00 66.02 66.74 1a4j s SER 213 CO 0.06 -1.39 0.12 2.22 0.98 0.00 0.00 173.24 175.23 1a4j n PHE 214 N -0.47 -0.55 -1.05 5.02 -1.74 -0.86 -5.03 117.46 112.78 1a4j n PHE 214 Ca -0.04 -0.69 0.00 0.00 -0.56 0.00 0.00 57.45 56.15 1a4j n PHE 214 Cb 0.60 0.13 0.00 0.00 1.52 0.00 0.00 39.48 41.73 1a4j n PHE 214 CO 0.00 0.00 0.00 0.27 -0.56 0.00 0.00 176.76 176.47 1a4j n ASN 215 N -2.21 0.00 -3.15 5.98 6.94 -1.26 -2.20 115.26 119.37 1a4j n ASN 215 Ca 0.01 -0.37 0.00 0.00 -0.02 0.00 0.00 54.58 54.19 1a4j n ASN 215 Cb 0.16 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.58 1a4j n ASN 215 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 1a4j n ARG 216 N 0.00 -1.22 -0.67 -3.83 3.00 -1.25 -4.07 116.66 108.62 1a4j n ARG 216 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1a4j n ARG 216 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.55 1a4j n ARG 216 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04