#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c4j n GLN 0 N 0.00 0.00 0.23 3.23 -0.06 -1.26 -4.55 117.38 114.97 3c4j n GLN 0 Ca 0.00 0.23 -0.10 0.00 -2.00 0.00 0.00 57.00 55.13 3c4j n GLN 0 Cb 0.00 -1.13 -0.05 0.00 -4.06 0.00 0.00 30.24 25.00 3c4j n GLN 0 CO 0.00 0.00 0.00 1.98 -0.20 0.00 0.00 177.06 178.84 3c4j h MET 1 N 0.00 -0.62 -5.94 3.69 4.05 -1.67 -3.33 114.93 111.12 3c4j h MET 1 Ca 0.00 0.04 -0.69 0.00 -0.28 0.00 0.00 59.70 58.78 3c4j h MET 1 Cb 0.00 0.14 -0.30 0.00 -0.80 0.00 0.00 31.60 30.64 3c4j h MET 1 CO 0.00 -0.41 -0.85 0.42 0.23 0.00 0.00 176.91 176.30 3c4j s ILE 2 N -3.70 2.33 -0.12 1.77 1.01 -0.78 0.11 121.20 121.82 3c4j s ILE 2 Ca -0.09 -0.96 -0.03 0.00 0.00 0.00 0.00 60.65 59.56 3c4j s ILE 2 Cb 0.01 -1.88 0.05 0.00 0.01 0.00 0.00 42.46 40.65 3c4j s ILE 2 CO 0.28 0.57 0.05 -0.62 0.00 0.00 0.00 174.94 175.22 3c4j s ASP 3 N -0.15 1.99 -0.10 3.58 2.15 -0.20 -0.36 116.67 123.58 3c4j s ASP 3 Ca -0.03 -0.36 0.02 0.00 0.43 0.00 0.00 52.55 52.60 3c4j s ASP 3 Cb -0.14 -0.34 0.02 0.00 -0.30 0.00 0.00 42.92 42.16 3c4j s ASP 3 CO 0.04 -0.28 -0.13 -0.69 -0.17 0.00 0.00 175.17 173.93 3c4j s VAL 4 N 2.05 1.33 -0.13 1.11 1.01 0.12 -0.06 120.40 125.84 3c4j s VAL 4 Ca 0.03 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.47 3c4j s VAL 4 Cb -0.14 -1.24 0.02 0.00 0.00 0.00 0.00 36.38 35.02 3c4j s VAL 4 CO -0.06 0.41 -0.14 -2.28 0.00 0.00 0.00 175.10 173.02 3c4j s HIS 5 N 1.01 2.01 -1.48 5.22 2.46 -0.36 -2.13 115.29 122.02 3c4j s HIS 5 Ca -0.07 -1.03 -0.02 0.00 0.47 0.00 0.00 55.06 54.41 3c4j s HIS 5 Cb -0.15 -1.48 0.00 0.00 -0.13 0.00 0.00 32.58 30.83 3c4j s HIS 5 CO -0.01 -0.56 0.04 0.94 -2.47 0.00 0.00 174.74 172.68 3c4j n GLN 6 N 4.50 -0.90 -1.94 2.88 -0.06 -0.82 -1.40 117.38 119.64 3c4j n GLN 6 Ca -0.18 0.08 -0.42 0.00 -2.00 0.00 0.00 57.00 54.49 3c4j n GLN 6 Cb 0.51 -3.39 -0.03 0.00 -4.06 0.00 0.00 30.24 23.27 3c4j n GLN 6 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 3c4j s LEU 7 N -7.24 4.36 -0.02 1.69 1.98 -0.29 -3.45 118.68 115.70 3c4j s LEU 7 Ca 0.03 2.41 0.04 0.00 -2.89 0.00 0.00 54.13 53.71 3c4j s LEU 7 Cb -0.02 -3.55 -0.00 0.00 0.66 0.00 0.00 46.19 43.28 3c4j s LEU 7 CO 0.96 -0.91 -0.13 -0.54 -1.89 0.00 0.00 176.35 173.85 3c4j s LYS 8 N 3.28 1.16 -0.06 1.98 1.02 0.32 -1.61 119.74 125.84 3c4j s LYS 8 Ca 0.75 -0.44 -0.03 0.00 0.02 0.00 0.00 55.97 56.26 3c4j s LYS 8 Cb -0.38 -1.08 0.03 0.00 -0.52 0.00 0.00 37.83 35.88 3c4j s LYS 8 CO 0.32 0.22 0.13 0.21 -0.92 0.00 0.00 175.35 175.32 3c4j s LYS 9 N -0.10 0.11 0.07 1.68 2.47 -0.92 -0.21 119.74 122.85 3c4j s LYS 9 Ca 0.01 0.28 0.06 0.00 -1.56 0.00 0.00 55.97 54.76 3c4j s LYS 9 Cb -0.07 -0.07 -0.03 0.00 -1.46 0.00 0.00 37.83 36.20 3c4j s LYS 9 CO 0.00 -0.10 -0.16 -1.12 0.16 0.00 0.00 175.35 174.14 3c4j s SER 10 N 0.67 1.87 -0.60 1.43 0.01 -1.26 -0.33 113.70 115.49 3c4j s SER 10 Ca -0.05 -0.60 0.01 0.00 1.31 0.00 0.00 55.95 56.63 3c4j s SER 10 Cb -0.07 -0.08 0.15 0.00 0.21 0.00 0.00 66.02 66.23 3c4j s SER 10 CO -0.03 -0.02 0.38 -0.36 0.41 0.00 0.00 173.24 173.62 3c4j s PHE 11 N -1.16 3.34 0.00 2.43 0.08 0.22 -4.94 117.98 117.95 3c4j s PHE 11 Ca 0.01 -3.03 0.00 0.00 0.12 0.00 0.00 56.93 54.03 3c4j s PHE 11 Cb -0.10 -2.97 0.00 0.00 -0.57 0.00 0.00 43.02 39.39 3c4j s PHE 11 CO 0.02 -0.75 0.00 0.41 -0.10 0.00 0.00 175.22 174.80 3c4j n GLY 12 N 3.06 1.58 0.88 4.36 0.00 -1.26 -2.90 105.19 110.91 3c4j n GLY 12 Ca 0.09 -0.65 0.09 0.00 0.00 0.00 0.00 46.02 45.55 3c4j n GLY 12 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3c4j n SER 13 N 7.03 2.58 -4.39 1.61 2.88 -1.26 -4.83 113.62 117.25 3c4j n SER 13 Ca 0.00 -1.92 -0.45 0.00 -1.33 0.00 0.00 58.87 55.17 3c4j n SER 13 Cb 0.00 -0.26 -0.06 0.00 -0.75 0.00 0.00 64.21 63.14 3c4j n SER 13 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 3c4j s LEU 14 N -1.24 5.44 -0.37 2.46 1.98 -1.14 -5.02 118.68 120.78 3c4j s LEU 14 Ca 0.34 -1.33 -0.29 0.00 -2.89 0.00 0.00 54.13 49.96 3c4j s LEU 14 Cb 0.19 -2.31 0.02 0.00 0.66 0.00 0.00 46.19 44.75 3c4j s LEU 14 CO 0.26 -0.94 1.12 -0.70 -1.89 0.00 0.00 176.35 174.20 3c4j s GLU 15 N 2.34 3.94 -0.25 1.98 2.12 -1.26 -0.61 118.70 126.95 3c4j s GLU 15 Ca 0.10 0.93 0.00 0.00 0.36 0.00 0.00 54.97 56.36 3c4j s GLU 15 Cb -0.24 -3.81 -0.17 0.00 0.26 0.00 0.00 34.13 30.17 3c4j s GLU 15 CO 0.07 -1.09 -0.19 0.28 -0.54 0.00 0.00 175.26 173.79 3c4j n VAL 16 N 6.23 1.51 -4.98 3.70 0.31 0.55 -4.84 118.33 120.82 3c4j n VAL 16 Ca 0.12 -0.56 -0.32 0.00 -0.01 0.00 0.00 64.34 63.57 3c4j n VAL 16 Cb 0.48 -1.47 -0.15 0.00 -0.91 0.00 0.00 33.84 31.79 3c4j n VAL 16 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3c4j s LEU 17 N -6.62 2.49 -0.09 7.52 1.43 -0.74 -3.77 118.68 118.90 3c4j s LEU 17 Ca -0.34 -0.36 0.13 0.00 -1.03 0.00 0.00 54.13 52.52 3c4j s LEU 17 Cb 0.09 -1.51 0.19 0.00 0.03 0.00 0.00 46.19 44.99 3c4j s LEU 17 CO 0.61 0.24 1.09 0.29 0.23 0.00 0.00 176.35 178.80 3c4j n LYS 18 N 3.04 1.38 0.00 1.70 5.02 -0.32 -2.17 118.16 126.81 3c4j n LYS 18 Ca -0.18 -2.13 0.00 0.00 -2.02 0.00 0.00 58.31 53.98 3c4j n LYS 18 Cb 0.52 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 34.27 3c4j n LYS 18 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3c4j n GLY 19 N -1.05 0.19 3.68 0.72 0.00 -0.69 -4.97 105.19 103.07 3c4j n GLY 19 Ca 0.11 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 3c4j n GLY 19 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3c4j s ILE 20 N 0.00 4.94 -0.18 -0.61 1.01 -0.63 -4.70 121.20 121.03 3c4j s ILE 20 Ca 0.00 1.53 0.01 0.00 0.00 0.00 0.00 60.65 62.19 3c4j s ILE 20 Cb 0.00 -4.09 0.03 0.00 0.01 0.00 0.00 42.46 38.42 3c4j s ILE 20 CO 0.00 0.10 -0.13 0.20 0.00 0.00 0.00 174.94 175.11 3c4j s ASN 21 N 1.07 3.19 -0.14 3.58 0.01 -1.26 -1.14 114.94 120.26 3c4j s ASN 21 Ca 0.37 -0.76 -0.16 0.00 -0.71 0.00 0.00 52.86 51.60 3c4j s ASN 21 Cb -0.17 -1.26 0.04 0.00 0.41 0.00 0.00 41.25 40.27 3c4j s ASN 21 CO 0.14 -0.10 0.43 0.54 -1.51 0.00 0.00 177.10 176.60 3c4j s VAL 22 N 1.40 0.01 -0.24 1.60 0.11 -0.91 -5.02 120.40 117.35 3c4j s VAL 22 Ca 0.01 -0.07 -0.02 0.00 -2.93 0.00 0.00 61.98 58.97 3c4j s VAL 22 Cb -0.15 -0.63 0.07 0.00 -1.53 0.00 0.00 36.38 34.14 3c4j s VAL 22 CO -0.09 -0.04 0.05 -1.00 -3.33 0.00 0.00 175.10 170.68 3c4j s HIS 23 N -0.08 1.38 -0.22 1.54 3.76 -1.26 -0.71 115.29 119.71 3c4j s HIS 23 Ca -0.03 -1.25 -0.13 0.00 -0.15 0.00 0.00 55.06 53.50 3c4j s HIS 23 Cb -0.03 -1.31 -0.04 0.00 1.11 0.00 0.00 32.58 32.31 3c4j s HIS 23 CO 0.02 -0.72 0.29 0.42 -0.85 0.00 0.00 174.74 173.89 3c4j s ILE 24 N 1.73 5.27 0.64 0.60 -1.09 0.51 -4.99 121.20 123.89 3c4j s ILE 24 Ca 0.02 0.47 -0.11 0.00 -2.23 0.00 0.00 60.65 58.80 3c4j s ILE 24 Cb -0.17 -3.62 -0.02 0.00 -1.58 0.00 0.00 42.46 37.06 3c4j s ILE 24 CO -0.14 0.30 1.04 -0.13 -1.23 0.00 0.00 174.94 174.77 3c4j s ARG 25 N 1.18 3.38 0.22 2.79 1.81 -1.26 -1.87 118.95 125.19 3c4j s ARG 25 Ca 0.14 0.83 -0.31 0.00 -1.72 0.00 0.00 55.73 54.66 3c4j s ARG 25 Cb -0.14 -2.05 -0.11 0.00 -0.45 0.00 0.00 34.95 32.20 3c4j s ARG 25 CO 0.06 -0.74 1.56 -2.00 -0.68 0.00 0.00 175.30 173.50 3c4j s GLU 26 N -5.11 4.20 0.00 3.54 2.12 -1.26 -1.97 118.70 120.22 3c4j s GLU 26 Ca 0.56 2.42 0.00 0.00 0.36 0.00 0.00 54.97 58.31 3c4j s GLU 26 Cb -0.12 -3.11 0.00 0.00 0.26 0.00 0.00 34.13 31.16 3c4j s GLU 26 CO 0.54 -0.59 0.00 0.41 -0.54 0.00 0.00 175.26 175.08 3c4j n GLY 27 N 3.11 0.88 3.75 -1.50 0.00 -1.25 -4.96 105.19 105.23 3c4j n GLY 27 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 3c4j n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3c4j s GLU 28 N -0.03 4.70 -0.37 1.61 2.12 -0.83 -4.68 118.70 121.23 3c4j s GLU 28 Ca 0.00 1.33 -0.07 0.00 0.36 0.00 0.00 54.97 56.59 3c4j s GLU 28 Cb 0.00 -3.30 0.05 0.00 0.26 0.00 0.00 34.13 31.15 3c4j s GLU 28 CO 0.00 0.46 0.16 0.08 -0.54 0.00 0.00 175.26 175.42 3c4j s VAL 29 N -0.87 3.91 -0.21 3.70 1.01 -1.26 -1.53 120.40 125.15 3c4j s VAL 29 Ca 0.40 -1.25 -0.07 0.00 0.00 0.00 0.00 61.98 61.06 3c4j s VAL 29 Cb -0.24 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 3c4j s VAL 29 CO 0.29 -0.30 0.07 -0.69 0.00 0.00 0.00 175.10 174.47 3c4j s VAL 30 N 1.40 4.62 -0.16 2.92 1.01 0.13 -0.73 120.40 129.58 3c4j s VAL 30 Ca 0.00 -0.08 -0.08 0.00 0.00 0.00 0.00 61.98 61.82 3c4j s VAL 30 Cb -0.21 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 3c4j s VAL 30 CO 0.02 0.40 0.11 -0.69 0.00 0.00 0.00 175.10 174.94 3c4j s VAL 31 N 0.91 5.19 -0.12 2.92 1.01 -0.37 0.35 120.40 130.28 3c4j s VAL 31 Ca 0.04 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.13 3c4j s VAL 31 Cb -0.14 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 3c4j s VAL 31 CO 0.03 0.51 -0.15 -0.69 0.00 0.00 0.00 175.10 174.80 3c4j s VAL 32 N -0.14 2.92 0.20 2.92 1.01 0.90 -0.10 120.40 128.12 3c4j s VAL 32 Ca 0.09 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.40 3c4j s VAL 32 Cb -0.12 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 3c4j s VAL 32 CO 0.01 0.53 -0.04 0.27 0.00 0.00 0.00 175.10 175.87 3c4j s ILE 33 N 0.30 1.09 0.00 2.22 -4.36 -0.33 -2.14 121.20 117.98 3c4j s ILE 33 Ca -0.11 -2.05 0.00 0.00 -0.26 0.00 0.00 60.65 58.23 3c4j s ILE 33 Cb -0.16 -2.19 0.00 0.00 1.25 0.00 0.00 42.46 41.36 3c4j s ILE 33 CO 0.06 -0.46 0.00 0.61 0.24 0.00 0.00 174.94 175.39 3c4j n GLY 34 N -0.35 3.88 3.48 6.27 0.00 -1.26 -0.78 105.19 116.43 3c4j n GLY 34 Ca -0.07 -1.21 -0.28 0.00 0.00 0.00 0.00 46.02 44.46 3c4j n GLY 34 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3c4j s PRO 35 N -2.59 -0.99 0.34 1.61 0.04 -1.25 -4.94 135.00 127.22 3c4j s PRO 35 Ca 0.00 0.87 -0.29 0.00 0.04 0.00 0.00 61.00 61.63 3c4j s PRO 35 Cb 0.00 -1.54 -0.10 0.00 0.04 0.00 0.00 34.50 32.89 3c4j s PRO 35 CO 0.00 -3.78 1.34 -1.12 0.04 0.00 0.00 177.00 173.48 3c4j s SER 36 N -2.47 6.69 0.00 6.66 0.01 -1.26 -3.13 113.70 120.20 3c4j s SER 36 Ca 0.69 2.76 0.00 0.00 1.31 0.00 0.00 55.95 60.70 3c4j s SER 36 Cb -0.25 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.32 3c4j s SER 36 CO 0.65 -0.60 0.00 0.61 0.41 0.00 0.00 173.24 174.30 3c4j n GLY 37 N 0.76 0.48 0.16 3.44 0.00 -1.26 -4.95 105.19 103.83 3c4j n GLY 37 Ca 0.00 -0.77 0.12 0.00 0.00 0.00 0.00 46.02 45.37 3c4j n GLY 37 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3c4j h SER 38 N 0.00 0.00 0.00 1.61 0.02 -1.90 -3.42 113.55 109.86 3c4j h SER 38 Ca 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3c4j h SER 38 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3c4j h SER 38 CO 0.00 0.01 0.00 0.61 -1.14 0.00 0.00 176.83 176.31 3c4j n GLY 39 N 1.18 0.89 0.18 -3.77 0.00 -1.26 -2.58 105.19 99.83 3c4j n GLY 39 Ca 0.04 -0.07 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 3c4j n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3c4j h LYS 40 N 2.34 0.47 -0.25 1.61 1.57 -1.91 0.14 116.57 120.53 3c4j h LYS 40 Ca 0.00 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.61 3c4j h LYS 40 Cb 0.00 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 3c4j h LYS 40 CO 0.00 0.31 -0.41 0.77 -0.57 0.00 0.00 179.45 179.55 3c4j h SER 41 N 0.48 0.79 -0.40 0.86 0.02 -1.99 -2.33 113.55 110.99 3c4j h SER 41 Ca 0.17 -0.53 0.05 0.00 -0.84 0.00 0.00 61.79 60.64 3c4j h SER 41 Cb 0.02 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.29 3c4j h SER 41 CO -0.08 1.17 0.14 0.74 -1.14 0.00 0.00 176.83 177.65 3c4j h THR 42 N 0.44 0.88 -0.07 -2.27 2.02 -1.94 -0.39 112.91 111.59 3c4j h THR 42 Ca 0.02 -0.10 0.04 0.00 0.77 0.00 0.00 66.41 67.14 3c4j h THR 42 Cb 1.01 0.56 -0.05 0.00 -1.74 0.00 0.00 68.15 67.93 3c4j h THR 42 CO 0.09 0.05 -0.22 0.15 0.37 0.00 0.00 175.52 175.97 3c4j h PHE 43 N 0.30 -0.59 -0.40 3.16 3.57 -0.69 -1.34 116.94 120.95 3c4j h PHE 43 Ca 0.18 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 3c4j h PHE 43 Cb 0.16 0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 3c4j h PHE 43 CO -0.15 -0.31 0.24 -0.07 -2.23 0.00 0.00 178.31 175.80 3c4j h LEU 44 N -0.31 0.46 -0.78 0.59 3.38 -1.04 -1.86 115.31 115.75 3c4j h LEU 44 Ca 0.08 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 3c4j h LEU 44 Cb 0.43 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3c4j h LEU 44 CO -0.25 0.35 0.08 0.03 0.09 0.00 0.00 178.44 178.74 3c4j h ARG 45 N 0.54 1.00 -0.45 1.13 3.08 -0.58 -1.57 114.38 117.53 3c4j h ARG 45 Ca 0.14 -0.26 -0.05 0.00 0.07 0.00 0.00 59.98 59.88 3c4j h ARG 45 Cb -0.03 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 3c4j h ARG 45 CO -0.03 0.93 0.09 0.00 -1.07 0.00 0.00 179.97 179.90 3c4j h LEU 47 N 0.60 0.62 -1.80 0.00 3.38 -1.21 -2.74 115.31 114.16 3c4j h LEU 47 Ca 0.14 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3c4j h LEU 47 Cb 0.35 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3c4j h LEU 47 CO 0.01 0.42 0.00 -3.20 0.09 0.00 0.00 178.44 175.75 3c4j n ASN 48 N -4.47 2.67 -1.61 -0.43 4.05 -0.61 -4.93 115.26 109.93 3c4j n ASN 48 Ca 0.09 -1.91 -0.16 0.00 0.45 0.00 0.00 54.58 53.05 3c4j n ASN 48 Cb 0.18 -0.25 -0.03 0.00 1.23 0.00 0.00 39.78 40.91 3c4j n ASN 48 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 3c4j n LEU 49 N 0.96 -1.54 0.01 1.20 4.77 -0.53 -4.88 117.00 117.00 3c4j n LEU 49 Ca 0.18 0.11 0.11 0.00 -0.03 0.00 0.00 56.01 56.37 3c4j n LEU 49 Cb 0.46 -2.31 -0.02 0.00 -2.33 0.00 0.00 43.42 39.22 3c4j n LEU 49 CO 0.13 -0.36 -0.06 0.18 -1.33 0.00 0.00 177.39 175.95 3c4j n LEU 50 N -2.11 0.63 -3.99 2.23 4.77 0.08 -4.90 117.00 113.73 3c4j n LEU 50 Ca -0.18 -0.14 -0.14 0.00 -0.03 0.00 0.00 56.01 55.52 3c4j n LEU 50 Cb 0.60 -0.07 -0.13 0.00 -2.33 0.00 0.00 43.42 41.49 3c4j n LEU 50 CO 0.22 0.10 -0.39 -1.61 -1.33 0.00 0.00 177.39 174.38 3c4j s GLU 51 N -3.16 0.41 0.58 3.23 2.02 -1.19 -4.98 118.70 115.61 3c4j s GLU 51 Ca 0.04 -0.40 -0.09 0.00 0.02 0.00 0.00 54.97 54.55 3c4j s GLU 51 Cb 0.15 -0.28 -0.03 0.00 0.10 0.00 0.00 34.13 34.07 3c4j s GLU 51 CO 0.82 0.07 0.94 0.34 0.02 0.00 0.00 175.26 177.45 3c4j s ASP 52 N -0.72 6.10 0.12 -0.19 -1.08 -1.26 -4.50 116.67 115.14 3c4j s ASP 52 Ca -0.04 1.16 0.08 0.00 -0.52 0.00 0.00 52.55 53.23 3c4j s ASP 52 Cb -0.05 -2.27 -0.04 0.00 -1.46 0.00 0.00 42.92 39.11 3c4j s ASP 52 CO -0.00 -0.84 -0.19 0.72 0.52 0.00 0.00 175.17 175.37 3c4j s PHE 53 N -3.04 1.75 -0.07 -5.34 -0.12 -1.26 -4.98 117.98 104.92 3c4j s PHE 53 Ca 0.53 -0.44 -0.24 0.00 -0.05 0.00 0.00 56.93 56.72 3c4j s PHE 53 Cb -0.11 -0.93 -0.27 0.00 -0.63 0.00 0.00 43.02 41.08 3c4j s PHE 53 CO 0.50 0.23 0.91 -0.44 -0.05 0.00 0.00 175.22 176.38 3c4j h ASP 54 N 3.79 0.29 -4.74 1.98 5.19 -0.97 -3.48 116.42 118.48 3c4j h ASP 54 Ca -0.44 -0.90 -0.23 0.00 -0.62 0.00 0.00 57.03 54.83 3c4j h ASP 54 Cb 1.19 -0.09 -0.17 0.00 0.18 0.00 0.00 39.33 40.43 3c4j h ASP 54 CO 0.44 1.17 -0.71 -1.61 -3.12 0.00 0.00 179.24 175.41 3c4j s GLU 55 N -2.62 0.68 0.00 3.56 2.02 -0.80 -4.98 118.70 116.56 3c4j s GLU 55 Ca -0.16 -1.08 0.00 0.00 0.02 0.00 0.00 54.97 53.76 3c4j s GLU 55 Cb 0.00 -0.18 0.00 0.00 0.10 0.00 0.00 34.13 34.05 3c4j s GLU 55 CO 0.77 -0.00 0.00 0.41 0.02 0.00 0.00 175.26 176.46 3c4j n GLY 56 N 0.60 -1.42 2.90 -1.39 0.00 -1.22 -0.52 105.19 104.14 3c4j n GLY 56 Ca -0.17 -2.08 -0.13 0.00 0.00 0.00 0.00 46.02 43.64 3c4j n GLY 56 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3c4j s GLU 57 N 0.00 0.05 -0.08 1.61 2.12 -0.49 -4.96 118.70 116.95 3c4j s GLU 57 Ca 0.00 0.16 0.02 0.00 0.36 0.00 0.00 54.97 55.51 3c4j s GLU 57 Cb 0.00 -0.07 0.01 0.00 0.26 0.00 0.00 34.13 34.34 3c4j s GLU 57 CO 0.00 -0.07 -0.13 0.42 -0.54 0.00 0.00 175.26 174.94 3c4j s ILE 58 N 0.47 1.23 -0.26 -3.70 1.01 -1.26 -1.23 121.20 117.47 3c4j s ILE 58 Ca -0.04 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.12 3c4j s ILE 58 Cb -0.05 -1.14 0.07 0.00 0.01 0.00 0.00 42.46 41.35 3c4j s ILE 58 CO -0.02 0.38 -0.03 -0.63 0.00 0.00 0.00 174.94 174.65 3c4j s ILE 59 N 0.90 1.59 -0.33 2.92 -1.09 0.92 -1.77 121.20 124.33 3c4j s ILE 59 Ca -0.10 -1.41 -0.15 0.00 -2.23 0.00 0.00 60.65 56.77 3c4j s ILE 59 Cb -0.15 -1.92 -0.02 0.00 -1.58 0.00 0.00 42.46 38.79 3c4j s ILE 59 CO 0.01 -0.22 0.36 -0.63 -1.23 0.00 0.00 174.94 173.22 3c4j s ILE 60 N 1.34 5.17 -1.26 2.92 1.09 -0.70 -1.03 121.20 128.73 3c4j s ILE 60 Ca -0.02 0.09 -0.16 0.00 -1.10 0.00 0.00 60.65 59.45 3c4j s ILE 60 Cb -0.19 -3.80 0.01 0.00 -1.06 0.00 0.00 42.46 37.42 3c4j s ILE 60 CO -0.08 -0.06 0.61 -0.67 -0.10 0.00 0.00 174.94 174.63 3c4j n ASP 61 N 5.37 -3.17 0.00 3.58 2.03 0.29 -1.99 116.55 122.65 3c4j n ASP 61 Ca -0.09 -1.09 0.00 0.00 0.52 0.00 0.00 54.79 54.13 3c4j n ASP 61 Cb 0.50 -2.81 0.00 0.00 -0.72 0.00 0.00 41.12 38.09 3c4j n ASP 61 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3c4j n GLY 62 N -1.92 0.58 3.17 0.27 0.00 -1.25 -5.01 105.19 101.03 3c4j n GLY 62 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 3c4j n GLY 62 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3c4j s ILE 63 N -2.51 1.96 -0.11 -0.61 2.07 -0.84 -5.10 121.20 116.05 3c4j s ILE 63 Ca 0.00 -0.93 -0.30 0.00 -1.41 0.00 0.00 60.65 58.01 3c4j s ILE 63 Cb 0.00 -1.72 -0.01 0.00 0.13 0.00 0.00 42.46 40.85 3c4j s ILE 63 CO 0.00 0.53 1.02 0.21 -1.91 0.00 0.00 174.94 174.79 3c4j s ASN 64 N 0.68 7.23 0.00 4.50 3.84 -1.26 -1.72 114.94 128.20 3c4j s ASN 64 Ca -0.11 1.54 0.14 0.00 0.21 0.00 0.00 52.86 54.64 3c4j s ASN 64 Cb -0.16 -2.56 0.64 0.00 -0.55 0.00 0.00 41.25 38.62 3c4j s ASN 64 CO 0.02 -0.47 1.45 0.18 -2.79 0.00 0.00 177.10 175.48 3c4j n LEU 65 N 5.11 0.00 0.00 3.21 4.77 -0.73 -2.37 117.00 126.99 3c4j n LEU 65 Ca 0.09 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 3c4j n LEU 65 Cb 0.48 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3c4j n LEU 65 CO 0.52 -0.23 0.36 0.29 -1.33 0.00 0.00 177.39 177.00 3c4j n LYS 66 N -1.45 0.82 -1.80 3.23 5.02 -1.26 -5.03 118.16 117.69 3c4j n LYS 66 Ca 0.04 -0.95 -0.35 0.00 -2.02 0.00 0.00 58.31 55.03 3c4j n LYS 66 Cb 0.16 -0.99 0.05 0.00 -0.02 0.00 0.00 35.03 34.23 3c4j n LYS 66 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3c4j s ALA 67 N -0.45 2.40 0.11 7.82 0.00 -1.00 -4.96 121.76 125.68 3c4j s ALA 67 Ca 0.00 0.91 -0.15 0.00 0.00 0.00 0.00 51.96 52.72 3c4j s ALA 67 Cb 0.00 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.63 3c4j s ALA 67 CO 0.00 -1.40 1.51 -0.22 0.00 0.00 0.00 175.76 175.65 3c4j h LYS 68 N 0.41 0.68 -0.17 0.00 1.63 -1.96 -3.12 116.57 114.03 3c4j h LYS 68 Ca -0.49 -0.26 0.00 0.00 -0.85 0.00 0.00 60.65 59.05 3c4j h LYS 68 Cb 1.29 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.88 3c4j h LYS 68 CO 0.53 0.84 0.00 -0.40 -3.45 0.00 0.00 179.45 176.97 3c4j n ASP 69 N -4.41 0.98 -4.68 4.20 5.75 -1.26 -4.91 116.55 112.22 3c4j n ASP 69 Ca -0.02 -1.94 -0.42 0.00 -0.01 0.00 0.00 54.79 52.40 3c4j n ASP 69 Cb 0.34 -0.11 -0.03 0.00 -1.03 0.00 0.00 41.12 40.29 3c4j n ASP 69 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3c4j s THR 70 N -1.77 4.22 -0.65 2.12 2.01 -1.18 -4.99 115.64 115.41 3c4j s THR 70 Ca 0.15 1.54 -0.25 0.00 0.31 0.00 0.00 61.69 63.45 3c4j s THR 70 Cb 0.08 -3.99 0.05 0.00 0.01 0.00 0.00 72.50 68.64 3c4j s THR 70 CO 0.11 -0.02 1.07 0.21 -0.69 0.00 0.00 174.62 175.29 3c4j s ASN 71 N 1.58 6.23 0.19 3.53 3.04 -1.26 -4.91 114.94 123.34 3c4j s ASN 71 Ca 0.56 -0.59 -0.08 0.00 0.04 0.00 0.00 52.86 52.79 3c4j s ASN 71 Cb -0.25 -2.47 0.10 0.00 -1.54 0.00 0.00 41.25 37.09 3c4j s ASN 71 CO 0.21 -1.51 1.68 -0.07 -3.04 0.00 0.00 177.10 174.37 3c4j h LEU 72 N 11.79 1.05 -1.21 3.21 3.38 -1.96 -2.98 115.31 128.59 3c4j h LEU 72 Ca -0.28 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.36 3c4j h LEU 72 Cb 1.06 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3c4j h LEU 72 CO 1.19 1.07 -0.14 0.78 0.09 0.00 0.00 178.44 181.43 3c4j h ASN 73 N 1.01 0.36 0.82 -0.43 2.35 -1.99 -0.50 115.58 117.22 3c4j h ASN 73 Ca 0.19 -0.09 -0.07 0.00 -0.55 0.00 0.00 56.30 55.79 3c4j h ASN 73 Cb 0.49 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 3c4j h ASN 73 CO 0.02 0.53 -0.31 0.50 -1.65 0.00 0.00 177.43 176.52 3c4j h LYS 74 N 0.35 0.00 0.03 0.81 3.64 -1.95 -2.19 116.57 117.27 3c4j h LYS 74 Ca 0.07 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 3c4j h LYS 74 Cb 0.46 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.28 3c4j h LYS 74 CO 0.03 0.31 -0.19 0.28 -2.27 0.00 0.00 179.45 177.60 3c4j h VAL 75 N 0.00 1.70 -0.96 2.00 2.07 -1.31 -3.31 116.25 116.43 3c4j h VAL 75 Ca -0.00 -2.30 0.31 0.00 0.82 0.00 0.00 66.70 65.52 3c4j h VAL 75 Cb 0.81 3.24 -0.15 0.00 -1.52 0.00 0.00 31.29 33.67 3c4j h VAL 75 CO 0.04 0.61 0.42 0.03 0.02 0.00 0.00 177.57 178.70 3c4j h ARG 76 N -0.80 0.22 0.00 1.57 3.08 -0.96 0.61 114.38 118.11 3c4j h ARG 76 Ca -0.03 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3c4j h ARG 76 Cb 1.11 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3c4j h ARG 76 CO 0.04 0.14 0.00 1.05 -1.07 0.00 0.00 179.97 180.13 3c4j h GLU 77 N 0.22 0.00 0.00 0.04 4.11 -1.50 -3.06 114.58 114.40 3c4j h GLU 77 Ca 0.69 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.12 3c4j h GLU 77 Cb 1.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.80 3c4j h GLU 77 CO -0.67 0.00 -0.74 0.39 0.07 0.00 0.00 179.01 178.07 3c4j n GLU 78 N -2.69 0.07 -3.95 1.06 1.02 0.18 -4.52 120.64 111.80 3c4j n GLU 78 Ca 0.03 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.82 3c4j n GLU 78 Cb 0.39 -1.53 -0.13 0.00 -0.02 0.00 0.00 31.44 30.15 3c4j n GLU 78 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3c4j s VAL 79 N -3.05 4.06 0.15 2.62 1.01 -1.04 -1.45 120.40 122.70 3c4j s VAL 79 Ca 0.09 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 61.83 3c4j s VAL 79 Cb 0.16 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 3c4j s VAL 79 CO 0.76 0.40 0.20 -0.83 0.00 0.00 0.00 175.10 175.64 3c4j s GLY 80 N 1.21 1.75 -0.09 4.51 0.00 0.20 -4.90 107.32 109.99 3c4j s GLY 80 Ca 0.04 -1.10 -0.05 0.00 0.00 0.00 0.00 44.72 43.60 3c4j s GLY 80 CO 0.02 -1.11 0.22 -0.29 0.00 0.00 0.00 173.10 171.94 3c4j s MET 81 N -3.10 0.19 -0.17 2.90 1.75 -1.26 -0.58 119.30 119.03 3c4j s MET 81 Ca 0.33 0.45 -0.01 0.00 -1.25 0.00 0.00 55.69 55.21 3c4j s MET 81 Cb -0.11 -0.09 -0.01 0.00 2.84 0.00 0.00 34.83 37.47 3c4j s MET 81 CO 0.26 -0.14 -0.11 0.08 -0.65 0.00 0.00 175.02 174.46 3c4j s VAL 82 N 1.02 3.02 0.58 10.11 1.01 0.12 -4.90 120.40 131.35 3c4j s VAL 82 Ca -0.07 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.30 3c4j s VAL 82 Cb -0.09 -2.31 0.07 0.00 0.00 0.00 0.00 36.38 34.05 3c4j s VAL 82 CO -0.06 0.49 0.80 -0.36 0.00 0.00 0.00 175.10 175.96 3c4j s PHE 83 N 0.89 2.19 0.13 5.22 0.08 -1.26 -0.60 117.98 124.63 3c4j s PHE 83 Ca -0.03 -0.32 -0.17 0.00 0.12 0.00 0.00 56.93 56.53 3c4j s PHE 83 Cb -0.15 -2.63 -0.03 0.00 -0.57 0.00 0.00 43.02 39.65 3c4j s PHE 83 CO -0.00 -1.07 1.72 0.37 -0.10 0.00 0.00 175.22 176.13 3c4j h GLN 84 N 0.04 0.46 0.00 0.44 4.15 -1.49 -3.41 115.11 115.30 3c4j h GLN 84 Ca -0.37 -0.06 -0.43 0.00 0.77 0.00 0.00 58.65 58.56 3c4j h GLN 84 Cb 1.28 -0.09 -0.11 0.00 0.21 0.00 0.00 27.48 28.77 3c4j h GLN 84 CO 0.45 0.41 -0.42 0.54 -1.93 0.00 0.00 178.83 177.88 3c4j n ARG 85 N -4.77 0.37 -1.92 1.69 1.74 -1.26 -4.65 116.66 107.86 3c4j n ARG 85 Ca -0.01 -2.97 -0.17 0.00 -0.77 0.00 0.00 57.85 53.93 3c4j n ARG 85 Cb 0.09 2.40 -0.04 0.00 -1.02 0.00 0.00 32.46 33.89 3c4j n ARG 85 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3c4j n PHE 86 N -0.57 -0.42 0.23 -1.55 3.01 -1.26 -4.90 117.46 112.00 3c4j n PHE 86 Ca 0.06 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.65 3c4j n PHE 86 Cb 0.54 -3.23 0.40 0.00 -0.01 0.00 0.00 39.48 37.17 3c4j n PHE 86 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 3c4j h ASN 87 N 0.00 0.00 -2.77 4.37 2.35 -1.93 -3.46 115.58 114.15 3c4j h ASN 87 Ca -0.39 0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 54.77 3c4j h ASN 87 Cb 1.22 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 39.48 3c4j h ASN 87 CO 0.50 0.11 -0.67 -0.76 -1.65 0.00 0.00 177.43 174.96 3c4j s LEU 88 N -6.36 3.21 -0.31 1.61 1.43 -1.26 -4.90 118.68 112.10 3c4j s LEU 88 Ca 0.03 -0.49 -0.23 0.00 -1.03 0.00 0.00 54.13 52.41 3c4j s LEU 88 Cb 0.08 -1.84 -0.00 0.00 0.03 0.00 0.00 46.19 44.45 3c4j s LEU 88 CO 0.63 0.07 0.77 -0.36 0.23 0.00 0.00 176.35 177.69 3c4j s PHE 89 N -1.84 3.20 -0.15 0.29 0.40 -1.26 -4.95 117.98 113.67 3c4j s PHE 89 Ca 0.28 0.79 0.30 0.00 -0.60 0.00 0.00 56.93 57.69 3c4j s PHE 89 Cb -0.09 -3.20 1.07 0.00 0.51 0.00 0.00 43.02 41.32 3c4j s PHE 89 CO 0.18 -0.56 1.86 -1.00 0.70 0.00 0.00 175.22 176.40 3c4j h PRO 90 N 8.13 0.00 -0.05 0.24 0.13 -1.98 -3.21 132.00 135.26 3c4j h PRO 90 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3c4j h PRO 90 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3c4j h PRO 90 CO 0.88 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 176.26 3c4j n HIS 91 N -2.91 0.04 -4.12 1.56 1.44 -1.26 -4.56 115.22 105.41 3c4j n HIS 91 Ca 0.02 -0.02 -0.08 0.00 -2.01 0.00 0.00 57.72 55.62 3c4j n HIS 91 Cb 0.35 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.35 3c4j n HIS 91 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3c4j s MET 92 N -1.96 0.71 1.02 -1.40 0.23 -1.21 -5.14 119.30 111.56 3c4j s MET 92 Ca 0.36 -1.28 -0.12 0.00 -1.03 0.00 0.00 55.69 53.62 3c4j s MET 92 Cb 0.20 0.09 0.20 0.00 -1.53 0.00 0.00 34.83 33.79 3c4j s MET 92 CO 0.32 -0.10 1.08 0.95 -2.03 0.00 0.00 175.02 175.25 3c4j s THR 93 N -3.84 2.08 0.15 3.16 -4.23 -1.26 -4.37 115.64 107.32 3c4j s THR 93 Ca 0.10 0.03 -0.16 0.00 -1.18 0.00 0.00 61.69 60.48 3c4j s THR 93 Cb 0.07 -2.46 0.02 0.00 1.34 0.00 0.00 72.50 71.47 3c4j s THR 93 CO -0.07 -0.03 1.75 0.58 -0.54 0.00 0.00 174.62 176.31 3c4j h VAL 94 N -1.99 1.16 -0.96 2.29 2.07 -0.69 -0.94 116.25 117.19 3c4j h VAL 94 Ca -0.55 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 66.57 3c4j h VAL 94 Cb 1.33 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 31.70 3c4j h VAL 94 CO 0.56 0.17 0.63 0.25 0.02 0.00 0.00 177.57 179.20 3c4j h LEU 95 N 0.56 1.08 -0.41 2.57 5.85 -0.87 -2.86 115.31 121.23 3c4j h LEU 95 Ca 0.15 -0.02 -0.18 0.00 0.84 0.00 0.00 57.88 58.67 3c4j h LEU 95 Cb 0.06 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 3c4j h LEU 95 CO -0.02 0.76 -0.59 0.78 -0.34 0.00 0.00 178.44 179.03 3c4j h ASN 96 N 1.26 0.73 -0.83 1.25 -0.26 -1.75 -2.35 115.58 113.64 3c4j h ASN 96 Ca 0.36 -0.41 0.14 0.00 -0.56 0.00 0.00 56.30 55.83 3c4j h ASN 96 Cb -0.09 -0.21 -0.09 0.00 -1.06 0.00 0.00 38.32 36.87 3c4j h ASN 96 CO -0.09 1.16 0.42 0.78 -1.06 0.00 0.00 177.43 178.63 3c4j h ASN 97 N 0.49 0.51 0.10 5.81 2.35 -1.04 -1.29 115.58 122.51 3c4j h ASN 97 Ca -0.00 0.09 -0.28 0.00 -0.55 0.00 0.00 56.30 55.55 3c4j h ASN 97 Cb 1.17 0.01 0.03 0.00 0.05 0.00 0.00 38.32 39.58 3c4j h ASN 97 CO 0.12 0.22 -1.17 0.40 -1.65 0.00 0.00 177.43 175.34 3c4j h ILE 98 N 0.61 1.30 0.00 2.81 2.04 -1.32 -3.34 117.51 119.61 3c4j h ILE 98 Ca 0.45 -2.41 0.00 0.00 1.00 0.00 0.00 64.86 63.90 3c4j h ILE 98 Cb 0.63 2.67 0.00 0.00 -0.74 0.00 0.00 36.82 39.38 3c4j h ILE 98 CO -0.36 0.73 -0.31 0.35 0.00 0.00 0.00 178.15 178.56 3c4j n THR 99 N -3.84 0.44 -0.05 -0.27 -2.24 -0.90 -4.23 114.28 103.18 3c4j n THR 99 Ca -0.13 -0.26 -0.08 0.00 -2.27 0.00 0.00 64.05 61.31 3c4j n THR 99 Cb 0.95 -0.33 -0.01 0.00 -2.10 0.00 0.00 70.33 68.84 3c4j n THR 99 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3c4j h LEU 100 N 0.00 -0.59 -0.00 3.22 5.85 -1.35 -2.35 115.31 120.09 3c4j h LEU 100 Ca 0.00 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 3c4j h LEU 100 Cb 0.72 0.30 0.00 0.00 0.37 0.00 0.00 40.66 42.05 3c4j h LEU 100 CO 0.00 -0.22 -0.01 0.00 -0.34 0.00 0.00 178.44 177.87 3c4j h ALA 101 N 0.97 0.00 -0.06 1.25 0.00 -1.82 -2.26 119.26 117.35 3c4j h ALA 101 Ca 0.14 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.76 3c4j h ALA 101 Cb 0.38 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3c4j h ALA 101 CO -0.35 -0.18 0.06 -1.35 0.00 0.00 0.00 179.25 177.43 3c4j h PRO 102 N -0.61 0.00 0.13 0.00 0.11 -1.77 0.23 132.00 130.09 3c4j h PRO 102 Ca -0.00 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.88 3c4j h PRO 102 Cb 0.63 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.76 3c4j h PRO 102 CO 0.00 0.00 -0.97 0.52 -0.21 0.00 0.00 178.00 177.34 3c4j h MET 103 N 0.00 0.42 -0.06 1.05 2.86 -1.38 -1.78 114.93 116.04 3c4j h MET 103 Ca 0.03 -0.63 -0.05 0.00 -2.06 0.00 0.00 59.70 56.99 3c4j h MET 103 Cb 0.15 0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.04 3c4j h MET 103 CO -0.00 1.28 -0.16 -0.22 1.06 0.00 0.00 176.91 178.87 3c4j h LYS 104 N -0.12 0.21 0.16 1.72 1.63 -1.02 -2.20 116.57 116.95 3c4j h LYS 104 Ca -0.16 -0.15 -0.25 0.00 -0.85 0.00 0.00 60.65 59.24 3c4j h LYS 104 Cb 1.72 0.02 0.02 0.00 -0.60 0.00 0.00 32.23 33.39 3c4j h LYS 104 CO 0.18 0.76 -1.18 0.28 -3.45 0.00 0.00 179.45 176.05 3c4j h VAL 105 N -0.31 1.29 -0.02 2.00 2.07 -0.70 -3.35 116.25 117.24 3c4j h VAL 105 Ca -0.00 -2.53 0.00 0.00 0.82 0.00 0.00 66.70 64.99 3c4j h VAL 105 Cb 0.77 3.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.55 3c4j h VAL 105 CO 0.03 0.74 -0.39 0.54 0.02 0.00 0.00 177.57 178.51 3c4j n ARG 106 N -3.95 1.41 -3.81 1.57 1.74 -0.69 -4.99 116.66 107.94 3c4j n ARG 106 Ca -0.18 -1.09 -0.27 0.00 -0.77 0.00 0.00 57.85 55.54 3c4j n ARG 106 Cb 0.92 -1.44 0.04 0.00 -1.02 0.00 0.00 32.46 30.95 3c4j n ARG 106 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3c4j n LYS 107 N 0.14 -5.81 -2.62 5.56 5.02 -0.83 -4.96 118.16 114.67 3c4j n LYS 107 Ca 0.09 0.65 -0.40 0.00 -2.02 0.00 0.00 58.31 56.63 3c4j n LYS 107 Cb 0.46 -5.49 -0.05 0.00 -0.02 0.00 0.00 35.03 29.93 3c4j n LYS 107 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3c4j s TRP 108 N -3.39 3.79 0.89 2.13 0.51 -1.17 -5.01 118.94 116.69 3c4j s TRP 108 Ca 0.49 1.80 -0.11 0.00 -2.12 0.00 0.00 56.10 56.16 3c4j s TRP 108 Cb -0.24 -3.13 0.13 0.00 -0.81 0.00 0.00 33.47 29.42 3c4j s TRP 108 CO 0.81 -0.04 1.17 -1.25 -0.51 0.00 0.00 176.95 177.12 3c4j s PRO 109 N -1.20 1.15 0.17 4.98 0.04 -1.26 -4.62 135.00 134.26 3c4j s PRO 109 Ca 0.43 1.62 -0.15 0.00 0.04 0.00 0.00 61.00 62.95 3c4j s PRO 109 Cb -0.29 -1.74 0.11 0.00 0.04 0.00 0.00 34.50 32.62 3c4j s PRO 109 CO 0.36 -2.55 1.75 -0.09 0.04 0.00 0.00 177.00 176.51 3c4j h ARG 110 N -1.62 0.30 0.00 4.56 2.43 -2.00 -2.33 114.38 115.72 3c4j h ARG 110 Ca -0.44 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 58.64 3c4j h ARG 110 Cb 1.28 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 3c4j h ARG 110 CO 0.42 0.20 -0.36 1.05 -1.51 0.00 0.00 179.97 179.77 3c4j h GLU 111 N 0.31 0.00 0.30 0.20 4.11 -1.98 -1.13 114.58 116.39 3c4j h GLU 111 Ca 0.19 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.61 3c4j h GLU 111 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3c4j h GLU 111 CO -0.20 0.36 -0.15 -0.22 0.07 0.00 0.00 179.01 178.87 3c4j h LYS 112 N 0.00 -0.39 -1.00 1.06 3.11 -1.84 -1.89 116.57 115.62 3c4j h LYS 112 Ca -0.00 0.03 0.05 0.00 -2.81 0.00 0.00 60.65 57.91 3c4j h LYS 112 Cb 0.78 0.09 -0.06 0.00 -1.00 0.00 0.00 32.23 32.04 3c4j h LYS 112 CO 0.05 -0.09 0.65 0.00 -2.81 0.00 0.00 179.45 177.25 3c4j h ALA 113 N -0.16 1.38 -0.13 5.00 0.00 -1.27 -2.60 119.26 121.48 3c4j h ALA 113 Ca -0.04 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 3c4j h ALA 113 Cb 0.49 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3c4j h ALA 113 CO 0.07 0.49 -0.64 0.93 0.00 0.00 0.00 179.25 180.10 3c4j h GLU 114 N 1.21 0.47 -0.62 0.00 5.08 -1.20 -0.16 114.58 119.36 3c4j h GLU 114 Ca 0.41 -0.34 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 3c4j h GLU 114 Cb 0.09 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 3c4j h GLU 114 CO -0.15 0.96 0.19 0.00 -1.00 0.00 0.00 179.01 179.01 3c4j h ALA 115 N 0.96 1.17 -0.35 3.43 0.00 -1.17 0.71 119.26 124.00 3c4j h ALA 115 Ca -0.01 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 3c4j h ALA 115 Cb 1.20 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3c4j h ALA 115 CO 0.11 0.58 -0.41 0.87 0.00 0.00 0.00 179.25 180.40 3c4j h LYS 116 N 0.91 0.88 -0.25 0.00 1.79 -1.22 -2.71 116.57 115.99 3c4j h LYS 116 Ca 0.20 -0.48 -0.15 0.00 -2.18 0.00 0.00 60.65 58.05 3c4j h LYS 116 Cb 0.27 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 3c4j h LYS 116 CO -0.01 1.12 -0.45 0.00 -1.08 0.00 0.00 179.45 179.04 3c4j h ALA 117 N 0.81 0.76 -0.49 3.86 0.00 -0.83 -2.42 119.26 120.94 3c4j h ALA 117 Ca 0.05 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 3c4j h ALA 117 Cb 1.00 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3c4j h ALA 117 CO 0.10 0.66 -0.09 0.52 0.00 0.00 0.00 179.25 180.44 3c4j h MET 118 N 0.50 0.90 -0.03 0.00 2.86 -0.84 0.14 114.93 118.46 3c4j h MET 118 Ca 0.03 -0.30 -0.16 0.00 -2.06 0.00 0.00 59.70 57.21 3c4j h MET 118 Cb 0.97 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.55 3c4j h MET 118 CO 0.09 0.95 -0.70 1.05 1.06 0.00 0.00 176.91 179.35 3c4j h GLU 119 N 0.81 0.17 -0.39 1.72 4.11 -1.48 -0.92 114.58 118.59 3c4j h GLU 119 Ca 0.13 -0.14 -0.14 0.00 0.07 0.00 0.00 59.36 59.28 3c4j h GLU 119 Cb 0.61 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 3c4j h GLU 119 CO 0.04 0.80 -0.31 -0.07 0.07 0.00 0.00 179.01 179.55 3c4j h LEU 120 N 0.12 0.91 -0.55 3.06 3.38 -1.15 -1.67 115.31 119.39 3c4j h LEU 120 Ca -0.02 -0.37 -0.08 0.00 0.09 0.00 0.00 57.88 57.49 3c4j h LEU 120 Cb 1.25 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 3c4j h LEU 120 CO 0.10 1.14 0.02 -0.07 0.09 0.00 0.00 178.44 179.72 3c4j h LEU 121 N 0.73 0.94 -0.32 1.67 3.38 -0.60 -2.73 115.31 118.39 3c4j h LEU 121 Ca 0.08 -0.30 0.06 0.00 0.09 0.00 0.00 57.88 57.81 3c4j h LEU 121 Cb 0.87 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.31 3c4j h LEU 121 CO 0.08 1.01 -0.01 -0.78 0.09 0.00 0.00 178.44 178.82 3c4j h ASP 122 N 0.85 -0.16 0.06 -0.43 1.82 -1.09 0.31 116.42 117.77 3c4j h ASP 122 Ca 0.16 0.08 -0.04 0.00 -0.39 0.00 0.00 57.03 56.84 3c4j h ASP 122 Cb 0.51 0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.65 3c4j h ASP 122 CO 0.02 -0.04 -0.12 0.11 -1.61 0.00 0.00 179.24 177.60 3c4j h LYS 123 N 0.07 0.15 -0.16 0.28 1.57 -1.17 -1.11 116.57 116.20 3c4j h LYS 123 Ca 0.15 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3c4j h LYS 123 Cb 0.21 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3c4j h LYS 123 CO -0.27 0.28 0.00 1.33 -0.57 0.00 0.00 179.45 180.22 3c4j n VAL 124 N -4.32 0.20 -2.85 0.50 0.24 -1.04 -4.95 118.33 106.10 3c4j n VAL 124 Ca -0.01 -0.40 -0.08 0.00 -2.04 0.00 0.00 64.34 61.81 3c4j n VAL 124 Cb 0.24 0.56 0.03 0.00 -1.47 0.00 0.00 33.84 33.19 3c4j n VAL 124 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3c4j n GLY 125 N 1.21 0.42 0.49 7.63 0.00 -0.42 -4.97 105.19 109.55 3c4j n GLY 125 Ca 0.17 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3c4j n GLY 125 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3c4j n LEU 126 N -2.06 0.00 -0.20 0.99 4.77 1.00 -4.89 117.00 116.62 3c4j n LEU 126 Ca -0.00 -0.99 0.13 0.00 -0.03 0.00 0.00 56.01 55.12 3c4j n LEU 126 Cb 0.52 0.00 0.45 0.00 -2.33 0.00 0.00 43.42 42.06 3c4j n LEU 126 CO 0.22 0.35 1.21 0.07 -1.33 0.00 0.00 177.39 177.91 3c4j h LYS 127 N 0.00 0.52 0.00 3.23 2.10 -1.82 -0.16 116.57 120.44 3c4j h LYS 127 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 3c4j h LYS 127 Cb 1.34 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 3c4j h LYS 127 CO 0.00 0.34 0.00 0.38 -2.00 0.00 0.00 179.45 178.17 3c4j h ASP 128 N 0.53 0.00 -0.61 7.07 2.03 -1.91 -1.90 116.42 121.63 3c4j h ASP 128 Ca 0.39 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.69 3c4j h ASP 128 Cb 0.74 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.24 3c4j h ASP 128 CO -0.14 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.36 3c4j n LYS 129 N -2.32 2.66 -0.26 4.15 4.76 -0.07 -4.66 118.16 122.41 3c4j n LYS 129 Ca -0.01 -2.51 0.07 0.00 -2.87 0.00 0.00 58.31 52.98 3c4j n LYS 129 Cb 0.05 -1.53 0.20 0.00 -1.84 0.00 0.00 35.03 31.91 3c4j n LYS 129 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3c4j h ALA 130 N 4.20 1.04 -0.66 7.82 0.00 -1.44 -1.06 119.26 129.16 3c4j h ALA 130 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3c4j h ALA 130 Cb 0.97 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3c4j h ALA 130 CO 0.00 -0.33 0.00 0.72 0.00 0.00 0.00 179.25 179.64 3c4j n HIS 131 N -5.13 0.91 -2.63 0.00 8.25 -1.26 -0.23 115.22 115.13 3c4j n HIS 131 Ca 0.16 -0.45 -0.27 0.00 -0.26 0.00 0.00 57.72 56.89 3c4j n HIS 131 Cb 0.49 -0.01 -0.00 0.00 1.12 0.00 0.00 29.99 31.59 3c4j n HIS 131 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3c4j s ALA 132 N -1.16 3.40 0.13 -1.41 0.00 -0.40 -4.80 121.76 117.52 3c4j s ALA 132 Ca 0.44 -0.49 -0.08 0.00 0.00 0.00 0.00 51.96 51.83 3c4j s ALA 132 Cb 0.23 -2.60 -0.06 0.00 0.00 0.00 0.00 23.12 20.70 3c4j s ALA 132 CO 0.29 -0.34 0.42 0.71 0.00 0.00 0.00 175.76 176.84 3c4j s TYR 133 N -2.73 3.51 0.34 0.00 2.02 -1.26 -0.46 117.35 118.77 3c4j s TYR 133 Ca 0.48 0.72 0.13 0.00 -0.37 0.00 0.00 57.07 58.02 3c4j s TYR 133 Cb -0.10 -2.12 1.00 0.00 -0.40 0.00 0.00 41.96 40.34 3c4j s TYR 133 CO 0.45 0.44 1.71 -1.35 -1.57 0.00 0.00 175.55 175.22 3c4j h PRO 134 N 3.16 0.44 0.00 -1.71 0.11 -1.80 -1.50 132.00 130.70 3c4j h PRO 134 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3c4j h PRO 134 Cb 1.18 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3c4j h PRO 134 CO 0.69 0.29 0.00 -0.25 -0.21 0.00 0.00 178.00 178.52 3c4j n ASP 135 N -4.91 0.00 -0.06 -2.05 8.00 -1.26 -1.12 116.55 115.16 3c4j n ASP 135 Ca 0.29 -0.28 0.13 0.00 0.71 0.00 0.00 54.79 55.64 3c4j n ASP 135 Cb 0.87 -0.20 0.34 0.00 -0.02 0.00 0.00 41.12 42.11 3c4j n ASP 135 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3c4j n SER 136 N -1.20 0.55 -4.89 -2.24 3.41 -0.57 -4.92 113.62 103.76 3c4j n SER 136 Ca 0.14 -0.33 -0.32 0.00 -0.26 0.00 0.00 58.87 58.11 3c4j n SER 136 Cb 0.16 0.13 -0.05 0.00 -0.26 0.00 0.00 64.21 64.19 3c4j n SER 136 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3c4j s LEU 137 N -2.87 4.25 1.02 1.04 1.43 -0.27 -5.05 118.68 118.22 3c4j s LEU 137 Ca 0.15 0.66 -0.15 0.00 -1.03 0.00 0.00 54.13 53.76 3c4j s LEU 137 Cb 0.18 -3.39 0.20 0.00 0.03 0.00 0.00 46.19 43.22 3c4j s LEU 137 CO 0.63 0.03 1.16 -0.94 0.23 0.00 0.00 176.35 177.46 3c4j s SER 138 N -2.41 2.55 0.12 2.29 1.04 -1.26 -4.77 113.70 111.26 3c4j s SER 138 Ca 0.42 0.73 -0.17 0.00 0.48 0.00 0.00 55.95 57.41 3c4j s SER 138 Cb -0.12 -1.10 -0.03 0.00 0.10 0.00 0.00 66.02 64.86 3c4j s SER 138 CO 0.24 -3.13 1.67 1.23 0.98 0.00 0.00 173.24 174.23 3c4j h GLY 139 N -1.90 0.51 0.37 7.32 0.00 -1.97 0.42 103.07 107.83 3c4j h GLY 139 Ca -0.48 -0.27 0.07 0.00 0.00 0.00 0.00 47.33 46.64 3c4j h GLY 139 CO 0.48 0.26 -0.05 -1.33 0.00 0.00 0.00 176.54 175.90 3c4j h GLY 140 N 0.38 0.29 0.87 4.60 0.00 -1.94 -1.09 103.07 106.17 3c4j h GLY 140 Ca 0.11 0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 3c4j h GLY 140 CO -0.01 -0.11 -0.21 1.46 0.00 0.00 0.00 176.54 177.67 3c4j h GLN 141 N 0.04 -0.55 -0.66 4.80 4.20 -1.88 -2.36 115.11 118.70 3c4j h GLN 141 Ca 0.17 0.04 0.14 0.00 0.06 0.00 0.00 58.65 59.05 3c4j h GLN 141 Cb 0.24 0.13 -0.12 0.00 0.30 0.00 0.00 27.48 28.03 3c4j h GLN 141 CO -0.32 -0.30 -0.07 0.00 -0.67 0.00 0.00 178.83 177.47 3c4j h ALA 142 N -0.20 0.57 0.00 3.87 0.00 -0.81 -0.98 119.26 121.70 3c4j h ALA 142 Ca -0.06 0.23 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3c4j h ALA 142 Cb 0.51 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3c4j h ALA 142 CO 0.10 -0.42 -0.40 0.37 0.00 0.00 0.00 179.25 178.90 3c4j h GLN 143 N 0.06 0.00 -0.21 0.00 5.75 -1.16 -0.63 115.11 118.93 3c4j h GLN 143 Ca 0.34 0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 58.68 3c4j h GLN 143 Cb 0.55 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.09 3c4j h GLN 143 CO -0.62 0.40 -0.53 0.00 -2.65 0.00 0.00 178.83 175.43 3c4j h ARG 144 N 0.00 0.61 -0.16 1.69 3.08 -0.73 -2.60 114.38 116.27 3c4j h ARG 144 Ca -0.00 -0.37 -0.09 0.00 0.07 0.00 0.00 59.98 59.58 3c4j h ARG 144 Cb 0.89 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 3c4j h ARG 144 CO 0.05 0.98 -0.30 0.28 -1.07 0.00 0.00 179.97 179.92 3c4j h VAL 145 N 0.47 1.27 -0.50 2.04 2.07 -0.73 -1.59 116.25 119.28 3c4j h VAL 145 Ca 0.01 -1.27 -0.03 0.00 0.82 0.00 0.00 66.70 66.23 3c4j h VAL 145 Cb 1.08 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 3c4j h VAL 145 CO 0.10 0.39 0.19 0.00 0.02 0.00 0.00 177.57 178.27 3c4j h ALA 146 N 1.42 1.39 -0.19 1.67 0.00 -0.94 0.17 119.26 122.78 3c4j h ALA 146 Ca 0.04 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 3c4j h ALA 146 Cb 0.67 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3c4j h ALA 146 CO 0.05 0.46 -0.43 0.82 0.00 0.00 0.00 179.25 180.14 3c4j h ILE 147 N 0.71 1.33 -0.54 0.00 2.04 -1.18 -2.73 117.51 117.13 3c4j h ILE 147 Ca 0.17 -1.67 0.05 0.00 1.00 0.00 0.00 64.86 64.41 3c4j h ILE 147 Cb 0.16 1.89 -0.05 0.00 -0.74 0.00 0.00 36.82 38.08 3c4j h ILE 147 CO -0.01 0.52 0.28 0.00 0.00 0.00 0.00 178.15 178.93 3c4j h ALA 148 N 0.59 0.70 -0.40 1.87 0.00 -0.63 0.17 119.26 121.56 3c4j h ALA 148 Ca 0.00 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.00 3c4j h ALA 148 Cb 1.04 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 3c4j h ALA 148 CO 0.10 -0.06 0.05 0.00 0.00 0.00 0.00 179.25 179.33 3c4j h ARG 149 N 0.54 0.16 -0.63 0.00 3.08 -0.71 -2.14 114.38 114.67 3c4j h ARG 149 Ca 0.24 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.21 3c4j h ARG 149 Cb 0.15 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 3c4j h ARG 149 CO -0.17 0.11 0.10 0.00 -1.07 0.00 0.00 179.97 178.94 3c4j h ALA 150 N 1.32 0.99 0.00 0.04 0.00 -1.07 -2.93 119.26 117.61 3c4j h ALA 150 Ca 0.20 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3c4j h ALA 150 Cb 0.25 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3c4j h ALA 150 CO -0.28 0.64 0.00 -0.07 0.00 0.00 0.00 179.25 179.54 3c4j h LEU 151 N 0.97 0.00 -1.31 0.00 3.38 -0.69 -3.23 115.31 114.43 3c4j h LEU 151 Ca 0.19 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 3c4j h LEU 151 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3c4j h LEU 151 CO 0.01 0.00 -0.29 0.00 0.09 0.00 0.00 178.44 178.25 3c4j h ALA 152 N 2.21 1.19 0.00 1.53 0.00 -1.19 -0.61 119.26 122.38 3c4j h ALA 152 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3c4j h ALA 152 Cb 0.67 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3c4j h ALA 152 CO 0.00 0.37 0.00 -1.33 0.00 0.00 0.00 179.25 178.29 3c4j n MET 153 N -3.71 0.84 -3.63 0.00 2.81 -1.22 -4.79 117.12 107.42 3c4j n MET 153 Ca -0.01 0.00 -0.23 0.00 -1.81 0.00 0.00 57.70 55.65 3c4j n MET 153 Cb 0.40 -1.50 0.04 0.00 -0.71 0.00 0.00 33.22 31.45 3c4j n MET 153 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3c4j n GLU 154 N -1.05 -3.29 -1.37 0.03 1.02 -0.24 -4.88 120.64 110.86 3c4j n GLU 154 Ca 0.21 0.60 -0.29 0.00 -0.02 0.00 0.00 57.16 57.66 3c4j n GLU 154 Cb 0.13 -4.94 0.13 0.00 -0.02 0.00 0.00 31.44 26.73 3c4j n GLU 154 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3c4j s PRO 155 N -5.74 1.30 0.00 3.49 0.04 -1.26 -4.94 135.00 127.90 3c4j s PRO 155 Ca 0.22 0.60 0.08 0.00 0.04 0.00 0.00 61.00 61.94 3c4j s PRO 155 Cb -0.06 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 3c4j s PRO 155 CO 0.82 -2.15 0.46 0.36 0.04 0.00 0.00 177.00 176.52 3c4j n LYS 156 N -3.79 3.24 -4.36 4.56 -0.00 -0.53 -4.94 118.16 112.34 3c4j n LYS 156 Ca 0.07 -0.29 -0.28 0.00 -0.00 0.00 0.00 58.31 57.81 3c4j n LYS 156 Cb 0.57 -0.96 -0.17 0.00 -0.00 0.00 0.00 35.03 34.48 3c4j n LYS 156 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 3c4j s ILE 157 N -1.47 1.40 -0.24 0.58 1.01 -0.99 -3.56 121.20 117.92 3c4j s ILE 157 Ca 0.05 -0.57 -0.01 0.00 0.00 0.00 0.00 60.65 60.12 3c4j s ILE 157 Cb 0.06 -1.29 0.03 0.00 0.01 0.00 0.00 42.46 41.27 3c4j s ILE 157 CO 0.26 0.42 -0.08 -0.04 0.00 0.00 0.00 174.94 175.51 3c4j s MET 158 N 1.09 2.77 -0.09 2.79 -1.94 -0.47 0.60 119.30 124.06 3c4j s MET 158 Ca -0.05 -1.01 -0.05 0.00 -1.71 0.00 0.00 55.69 52.87 3c4j s MET 158 Cb -0.14 -2.94 -0.04 0.00 2.01 0.00 0.00 34.83 33.72 3c4j s MET 158 CO -0.03 -0.41 0.14 -0.51 -0.01 0.00 0.00 175.02 174.21 3c4j s LEU 159 N 1.29 4.30 -0.15 -0.03 1.43 0.25 -1.99 118.68 123.78 3c4j s LEU 159 Ca -0.01 0.40 -0.01 0.00 -1.03 0.00 0.00 54.13 53.48 3c4j s LEU 159 Cb -0.17 -2.19 0.04 0.00 0.03 0.00 0.00 46.19 43.90 3c4j s LEU 159 CO -0.05 0.37 -0.01 -0.36 0.23 0.00 0.00 176.35 176.52 3c4j s PHE 160 N -1.10 1.26 -0.63 0.29 0.08 0.22 -0.70 117.98 117.39 3c4j s PHE 160 Ca 0.18 -0.80 -0.15 0.00 0.12 0.00 0.00 56.93 56.28 3c4j s PHE 160 Cb -0.12 -1.11 0.16 0.00 -0.57 0.00 0.00 43.02 41.38 3c4j s PHE 160 CO 0.08 -0.55 0.58 0.34 -0.10 0.00 0.00 175.22 175.57 3c4j s ASP 161 N 1.78 6.33 -1.22 1.36 -1.08 0.23 -0.48 116.67 123.60 3c4j s ASP 161 Ca 0.01 -2.12 -0.22 0.00 -0.52 0.00 0.00 52.55 49.70 3c4j s ASP 161 Cb -0.15 -2.19 0.01 0.00 -1.46 0.00 0.00 42.92 39.13 3c4j s ASP 161 CO -0.07 -0.75 0.67 -0.62 0.52 0.00 0.00 175.17 174.92 3c4j n GLU 162 N 4.77 -1.13 0.30 4.34 1.02 0.20 -1.76 120.64 128.37 3c4j n GLU 162 Ca -0.04 0.30 0.18 0.00 -0.02 0.00 0.00 57.16 57.58 3c4j n GLU 162 Cb 0.42 -3.59 0.92 0.00 -0.02 0.00 0.00 31.44 29.17 3c4j n GLU 162 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3c4j h PRO 163 N -2.15 0.00 -0.07 3.49 0.13 -1.80 -2.89 132.00 128.71 3c4j h PRO 163 Ca -0.68 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 3c4j h PRO 163 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 3c4j h PRO 163 CO 0.52 0.03 0.00 0.25 -0.23 0.00 0.00 178.00 178.57 3c4j n THR 164 N -3.23 0.32 -0.18 1.56 -2.24 -1.26 -4.76 114.28 104.50 3c4j n THR 164 Ca -0.01 -0.66 -0.07 0.00 -2.27 0.00 0.00 64.05 61.03 3c4j n THR 164 Cb 0.19 0.93 0.02 0.00 -2.10 0.00 0.00 70.33 69.38 3c4j n THR 164 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3c4j h SER 165 N 1.30 0.65 -0.37 3.42 0.02 -1.84 -2.85 113.55 113.88 3c4j h SER 165 Ca 0.00 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3c4j h SER 165 Cb 0.40 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.78 3c4j h SER 165 CO 0.00 0.53 0.00 0.00 -1.14 0.00 0.00 176.83 176.22 3c4j n ALA 166 N -2.28 2.88 -2.82 3.77 0.00 -1.26 -4.90 120.51 115.90 3c4j n ALA 166 Ca 0.03 -0.92 -0.34 0.00 0.00 0.00 0.00 53.44 52.21 3c4j n ALA 166 Cb 0.07 -1.02 -0.06 0.00 0.00 0.00 0.00 19.45 18.43 3c4j n ALA 166 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3c4j s LEU 167 N -1.29 4.07 0.35 0.00 1.43 -1.08 -5.08 118.68 117.08 3c4j s LEU 167 Ca 0.30 0.24 -0.29 0.00 -1.03 0.00 0.00 54.13 53.35 3c4j s LEU 167 Cb 0.19 -2.32 -0.11 0.00 0.03 0.00 0.00 46.19 43.98 3c4j s LEU 167 CO 0.14 0.29 1.50 -1.81 0.23 0.00 0.00 176.35 176.70 3c4j s ASP 168 N -1.66 6.40 0.49 2.29 1.11 -1.26 -4.83 116.67 119.21 3c4j s ASP 168 Ca 0.23 2.98 0.29 0.00 0.18 0.00 0.00 52.55 56.23 3c4j s ASP 168 Cb -0.12 -2.66 1.39 0.00 1.07 0.00 0.00 42.92 42.60 3c4j s ASP 168 CO 0.13 -0.85 1.81 -0.65 1.18 0.00 0.00 175.17 176.80 3c4j h PRO 169 N 3.60 0.13 0.00 8.23 0.11 -1.98 0.38 132.00 142.48 3c4j h PRO 169 Ca -0.49 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 3c4j h PRO 169 Cb 1.23 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 3c4j h PRO 169 CO 0.69 0.09 -0.10 1.05 -0.21 0.00 0.00 178.00 179.51 3c4j h GLU 170 N 0.13 0.00 0.00 1.05 9.09 -2.02 -3.02 114.58 119.82 3c4j h GLU 170 Ca 0.54 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.95 3c4j h GLU 170 Cb 1.88 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.98 3c4j h GLU 170 CO -0.10 0.10 -0.45 -1.33 0.05 0.00 0.00 179.01 177.27 3c4j n MET 171 N -3.21 0.20 -0.19 1.06 2.81 0.13 -4.11 117.12 113.81 3c4j n MET 171 Ca 0.01 0.08 -0.10 0.00 -1.81 0.00 0.00 57.70 55.88 3c4j n MET 171 Cb 0.39 -1.65 0.01 0.00 -0.71 0.00 0.00 33.22 31.26 3c4j n MET 171 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3c4j h VAL 172 N 0.00 1.27 0.23 2.03 2.07 -1.41 -3.36 116.25 117.08 3c4j h VAL 172 Ca 0.00 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.34 3c4j h VAL 172 Cb 0.67 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 3c4j h VAL 172 CO 0.00 0.42 -0.44 1.23 0.02 0.00 0.00 177.57 178.80 3c4j h GLY 173 N 0.87 -1.18 2.00 2.17 0.00 -1.73 -2.87 103.07 102.33 3c4j h GLY 173 Ca 0.15 0.60 -0.01 0.00 0.00 0.00 0.00 47.33 48.06 3c4j h GLY 173 CO 0.04 -0.32 -0.05 1.05 0.00 0.00 0.00 176.54 177.25 3c4j h GLU 174 N -0.72 0.00 -0.12 4.80 9.09 -1.84 -2.23 114.58 123.56 3c4j h GLU 174 Ca -0.03 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.34 3c4j h GLU 174 Cb 0.68 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.78 3c4j h GLU 174 CO -0.16 0.05 -0.08 0.28 0.05 0.00 0.00 179.01 179.14 3c4j h VAL 175 N 0.00 1.33 0.00 -1.06 2.07 -1.68 -3.13 116.25 113.78 3c4j h VAL 175 Ca -0.00 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 3c4j h VAL 175 Cb 0.47 1.83 -0.00 0.00 -1.52 0.00 0.00 31.29 32.07 3c4j h VAL 175 CO 0.01 0.33 -0.05 -0.07 0.02 0.00 0.00 177.57 177.81 3c4j h LEU 176 N -0.09 0.00 -0.59 2.57 3.38 -1.22 -2.46 115.31 116.90 3c4j h LEU 176 Ca 0.03 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 3c4j h LEU 176 Cb 0.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3c4j h LEU 176 CO 0.02 0.05 -0.20 0.28 0.09 0.00 0.00 178.44 178.68 3c4j h SER 177 N 0.00 0.92 -0.20 -0.43 0.02 -1.37 -0.36 113.55 112.13 3c4j h SER 177 Ca -0.00 -0.34 -0.08 0.00 -0.84 0.00 0.00 61.79 60.54 3c4j h SER 177 Cb 0.26 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.55 3c4j h SER 177 CO 0.01 1.09 -0.19 0.58 -1.14 0.00 0.00 176.83 177.18 3c4j h VAL 178 N 0.79 1.33 -0.88 2.27 2.07 -1.42 -1.63 116.25 118.78 3c4j h VAL 178 Ca 0.11 -1.34 0.01 0.00 0.82 0.00 0.00 66.70 66.29 3c4j h VAL 178 Cb 0.75 1.76 -0.04 0.00 -1.52 0.00 0.00 31.29 32.24 3c4j h VAL 178 CO 0.06 0.41 0.58 0.24 0.02 0.00 0.00 177.57 178.88 3c4j h MET 179 N 0.14 1.16 -0.02 1.57 2.07 -1.44 -0.50 114.93 117.91 3c4j h MET 179 Ca 0.03 -0.07 -0.00 0.00 -2.07 0.00 0.00 59.70 57.59 3c4j h MET 179 Cb 0.73 -0.26 -0.00 0.00 -1.87 0.00 0.00 31.60 30.19 3c4j h MET 179 CO 0.05 0.77 0.01 0.87 1.07 0.00 0.00 176.91 179.68 3c4j h LYS 180 N 1.19 0.03 -0.97 1.72 1.57 -1.02 -0.19 116.57 118.91 3c4j h LYS 180 Ca 0.32 -0.00 0.14 0.00 -1.87 0.00 0.00 60.65 59.24 3c4j h LYS 180 Cb -0.14 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.08 3c4j h LYS 180 CO -0.07 0.14 0.61 0.37 -0.57 0.00 0.00 179.45 179.93 3c4j h GLN 181 N -0.08 0.84 -0.55 3.15 4.15 -0.91 0.33 115.11 122.05 3c4j h GLN 181 Ca 0.01 -0.05 -0.12 0.00 0.77 0.00 0.00 58.65 59.26 3c4j h GLN 181 Cb 0.11 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 3c4j h GLN 181 CO -0.00 0.55 -0.11 1.25 -1.93 0.00 0.00 178.83 178.59 3c4j h LEU 182 N 0.86 1.04 -0.62 -2.39 5.85 -0.80 -2.42 115.31 116.84 3c4j h LEU 182 Ca 0.50 -0.35 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 3c4j h LEU 182 Cb 0.64 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 3c4j h LEU 182 CO -0.27 1.15 0.16 0.00 -0.34 0.00 0.00 178.44 179.14 3c4j h ALA 183 N 0.93 0.81 0.00 1.25 0.00 0.23 -2.77 119.26 119.71 3c4j h ALA 183 Ca 0.14 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3c4j h ALA 183 Cb 0.68 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3c4j h ALA 183 CO 0.05 0.52 0.00 0.09 0.00 0.00 0.00 179.25 179.91 3c4j n ASN 184 N -4.34 0.00 -0.71 0.00 3.02 0.11 -2.81 115.26 110.52 3c4j n ASN 184 Ca 0.04 0.36 0.08 0.00 -0.03 0.00 0.00 54.58 55.03 3c4j n ASN 184 Cb 0.24 -0.44 0.09 0.00 -0.61 0.00 0.00 39.78 39.06 3c4j n ASN 184 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3c4j n GLU 185 N -1.44 1.51 -0.03 3.52 1.02 -0.93 -4.98 120.64 119.31 3c4j n GLU 185 Ca 0.05 -1.60 0.00 0.00 -0.02 0.00 0.00 57.16 55.59 3c4j n GLU 185 Cb 0.17 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 3c4j n GLU 185 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3c4j n GLY 186 N 0.96 0.99 3.73 0.62 0.00 -1.12 -5.07 105.19 105.30 3c4j n GLY 186 Ca 0.11 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3c4j n GLY 186 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3c4j s MET 187 N -0.91 4.38 -0.21 1.61 0.00 -1.06 -3.84 119.30 119.26 3c4j s MET 187 Ca 0.00 2.04 -0.29 0.00 0.00 0.00 0.00 55.69 57.44 3c4j s MET 187 Cb 0.00 -3.22 -0.01 0.00 0.00 0.00 0.00 34.83 31.60 3c4j s MET 187 CO 0.00 -0.29 1.37 0.99 0.00 0.00 0.00 175.02 177.09 3c4j s THR 188 N 0.39 4.07 -0.05 10.11 2.01 -1.23 -4.46 115.64 126.48 3c4j s THR 188 Ca 0.59 1.25 0.03 0.00 0.31 0.00 0.00 61.69 63.87 3c4j s THR 188 Cb -0.36 -3.95 0.01 0.00 0.01 0.00 0.00 72.50 68.21 3c4j s THR 188 CO 0.36 -0.27 -0.13 -0.04 -0.69 0.00 0.00 174.62 173.85 3c4j s MET 189 N 3.97 1.62 -0.26 4.92 1.00 -0.58 -1.36 119.30 128.61 3c4j s MET 189 Ca 0.60 -0.45 -0.04 0.00 0.00 0.00 0.00 55.69 55.80 3c4j s MET 189 Cb -0.22 -1.37 0.01 0.00 0.00 0.00 0.00 34.83 33.25 3c4j s MET 189 CO 0.21 0.09 0.00 0.08 0.00 0.00 0.00 175.02 175.41 3c4j s VAL 190 N 0.44 3.48 -0.26 -6.03 1.01 -0.84 0.21 120.40 118.40 3c4j s VAL 190 Ca -0.10 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.18 3c4j s VAL 190 Cb -0.14 -2.72 0.06 0.00 0.00 0.00 0.00 36.38 33.58 3c4j s VAL 190 CO 0.03 0.22 -0.09 -0.69 0.00 0.00 0.00 175.10 174.57 3c4j s VAL 191 N 1.44 2.06 -0.44 2.92 1.01 0.15 -0.61 120.40 126.93 3c4j s VAL 191 Ca 0.03 -1.62 -0.29 0.00 0.00 0.00 0.00 61.98 60.10 3c4j s VAL 191 Cb -0.16 -2.22 0.03 0.00 0.00 0.00 0.00 36.38 34.02 3c4j s VAL 191 CO -0.01 -0.09 1.16 -0.69 0.00 0.00 0.00 175.10 175.47 3c4j s VAL 192 N 1.14 4.22 -0.20 2.92 1.01 0.37 -0.07 120.40 129.79 3c4j s VAL 192 Ca -0.07 1.27 -0.27 0.00 0.00 0.00 0.00 61.98 62.91 3c4j s VAL 192 Cb -0.20 -4.53 0.07 0.00 0.00 0.00 0.00 36.38 31.73 3c4j s VAL 192 CO -0.06 -0.89 0.72 0.28 0.00 0.00 0.00 175.10 175.15 3c4j s THR 193 N 4.44 0.00 -0.26 3.92 -1.32 -0.91 -0.63 115.64 120.88 3c4j s THR 193 Ca 0.49 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 61.09 3c4j s THR 193 Cb -0.09 -1.00 0.52 0.00 -1.51 0.00 0.00 72.50 70.42 3c4j s THR 193 CO 0.29 0.00 1.46 1.41 -2.21 0.00 0.00 174.62 175.58 3c4j n HIS 194 N 2.10 1.11 -2.77 9.09 8.25 -1.26 -4.56 115.22 127.18 3c4j n HIS 194 Ca -0.15 -1.35 -0.42 0.00 -0.26 0.00 0.00 57.72 55.53 3c4j n HIS 194 Cb 0.56 -0.45 -0.03 0.00 1.12 0.00 0.00 29.99 31.19 3c4j n HIS 194 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3c4j s GLU 195 N -3.10 3.23 0.06 -0.41 0.41 -1.26 -4.95 118.70 112.68 3c4j s GLU 195 Ca 0.44 -0.83 -0.26 0.00 -0.41 0.00 0.00 54.97 53.92 3c4j s GLU 195 Cb 0.38 -4.40 -0.17 0.00 -1.78 0.00 0.00 34.13 28.17 3c4j s GLU 195 CO 0.03 -1.93 1.56 1.98 -0.49 0.00 0.00 175.26 176.42 3c4j h MET 196 N 9.61 -0.24 -1.01 1.61 1.85 -2.00 -2.71 114.93 122.05 3c4j h MET 196 Ca -0.19 0.02 0.23 0.00 -0.61 0.00 0.00 59.70 59.15 3c4j h MET 196 Cb 1.05 0.05 -0.12 0.00 0.43 0.00 0.00 31.60 33.02 3c4j h MET 196 CO 1.22 -0.05 0.60 0.78 -0.40 0.00 0.00 176.91 179.06 3c4j h GLY 197 N -0.38 1.84 0.82 1.39 0.00 -2.00 -0.13 103.07 104.62 3c4j h GLY 197 Ca -0.03 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 3c4j h GLY 197 CO 0.04 -0.19 -0.13 -2.75 0.00 0.00 0.00 176.54 173.52 3c4j h PHE 198 N 0.62 -0.33 -0.54 5.60 3.57 -1.96 -2.18 116.94 121.73 3c4j h PHE 198 Ca 0.62 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 62.20 3c4j h PHE 198 Cb 1.15 0.11 -0.07 0.00 2.79 0.00 0.00 35.95 39.93 3c4j h PHE 198 CO -0.01 -0.08 0.17 0.00 -2.23 0.00 0.00 178.31 176.17 3c4j h ALA 199 N 0.15 0.66 -0.38 2.41 0.00 -0.88 -1.85 119.26 119.37 3c4j h ALA 199 Ca -0.04 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3c4j h ALA 199 Cb 0.40 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3c4j h ALA 199 CO 0.06 -0.23 0.08 0.00 0.00 0.00 0.00 179.25 179.15 3c4j h ARG 200 N 0.34 0.62 0.40 0.00 3.08 -1.09 -1.32 114.38 116.41 3c4j h ARG 200 Ca 0.27 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 3c4j h ARG 200 Cb 0.32 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.30 3c4j h ARG 200 CO -0.29 0.67 -0.19 1.49 -1.07 0.00 0.00 179.97 180.58 3c4j h GLU 201 N 0.47 -0.52 -0.01 0.04 4.81 -1.02 -3.38 114.58 114.97 3c4j h GLU 201 Ca 0.12 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3c4j h GLU 201 Cb 0.34 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.84 3c4j h GLU 201 CO 0.00 -0.34 -0.50 1.33 -0.73 0.00 0.00 179.01 178.77 3c4j n VAL 202 N -4.05 0.00 -2.36 0.32 0.24 -0.73 -4.99 118.33 106.77 3c4j n VAL 202 Ca -0.07 -0.25 -0.41 0.00 -2.04 0.00 0.00 64.34 61.58 3c4j n VAL 202 Cb 0.21 1.15 -0.04 0.00 -1.47 0.00 0.00 33.84 33.70 3c4j n VAL 202 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3c4j s GLY 203 N -2.22 2.99 -0.18 7.63 0.00 -0.50 -4.74 107.32 110.29 3c4j s GLY 203 Ca 0.13 1.01 -0.03 0.00 0.00 0.00 0.00 44.72 45.83 3c4j s GLY 203 CO 0.52 1.67 0.09 1.22 0.00 0.00 0.00 173.10 176.61 3c4j n ASP 204 N 1.27 2.06 -4.01 1.64 8.00 0.09 -4.76 116.55 120.85 3c4j n ASP 204 Ca -0.00 0.06 -0.08 0.00 0.71 0.00 0.00 54.79 55.47 3c4j n ASP 204 Cb 0.44 -0.66 -0.10 0.00 -0.02 0.00 0.00 41.12 40.78 3c4j n ASP 204 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3c4j s ARG 205 N -2.54 0.54 -0.10 -1.24 0.52 -1.16 -4.39 118.95 110.58 3c4j s ARG 205 Ca -0.28 -0.92 0.03 0.00 -0.52 0.00 0.00 55.73 54.04 3c4j s ARG 205 Cb 0.08 0.20 0.01 0.00 0.52 0.00 0.00 34.95 35.75 3c4j s ARG 205 CO 0.69 -0.11 -0.18 0.08 0.02 0.00 0.00 175.30 175.80 3c4j s VAL 206 N -2.91 1.66 -0.23 3.52 1.01 0.33 -1.24 120.40 122.54 3c4j s VAL 206 Ca -0.02 -0.77 -0.06 0.00 0.00 0.00 0.00 61.98 61.13 3c4j s VAL 206 Cb 0.01 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 3c4j s VAL 206 CO -0.06 0.47 0.02 -0.76 0.00 0.00 0.00 175.10 174.77 3c4j s LEU 207 N 0.67 3.24 -0.39 3.92 1.43 0.85 -2.42 118.68 125.98 3c4j s LEU 207 Ca -0.13 -0.26 -0.19 0.00 -1.03 0.00 0.00 54.13 52.52 3c4j s LEU 207 Cb -0.16 -1.85 0.01 0.00 0.03 0.00 0.00 46.19 44.22 3c4j s LEU 207 CO 0.03 -0.01 0.58 0.12 0.23 0.00 0.00 176.35 177.30 3c4j s PHE 208 N 1.43 3.13 -0.05 0.29 5.36 0.69 -1.19 117.98 127.64 3c4j s PHE 208 Ca 0.05 0.08 -0.04 0.00 -0.96 0.00 0.00 56.93 56.07 3c4j s PHE 208 Cb -0.15 -3.12 -0.04 0.00 -0.34 0.00 0.00 43.02 39.38 3c4j s PHE 208 CO 0.01 -0.69 0.15 -1.64 -1.46 0.00 0.00 175.22 171.59 3c4j s MET 209 N 2.59 3.37 -0.30 10.12 -1.94 0.04 -0.05 119.30 133.13 3c4j s MET 209 Ca 0.21 -0.28 -0.12 0.00 -1.71 0.00 0.00 55.69 53.79 3c4j s MET 209 Cb -0.15 -3.09 0.14 0.00 2.01 0.00 0.00 34.83 33.74 3c4j s MET 209 CO 0.16 0.71 0.76 0.34 -0.01 0.00 0.00 175.02 176.97 3c4j s ASP 210 N -1.56 -0.96 -1.63 3.03 2.15 -0.55 -3.96 116.67 113.19 3c4j s ASP 210 Ca 0.22 1.33 0.00 0.00 0.43 0.00 0.00 52.55 54.53 3c4j s ASP 210 Cb -0.12 2.05 0.00 0.00 -0.30 0.00 0.00 42.92 44.55 3c4j s ASP 210 CO 0.12 -0.19 0.00 0.61 -0.17 0.00 0.00 175.17 175.55 3c4j n GLY 211 N 5.22 -0.34 0.37 2.66 0.00 -1.26 -2.77 105.19 109.07 3c4j n GLY 211 Ca -0.12 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3c4j n GLY 211 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3c4j n GLY 212 N -1.01 0.53 3.51 -0.02 0.00 -1.06 -4.82 105.19 102.32 3c4j n GLY 212 Ca -0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 3c4j n GLY 212 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3c4j s TYR 213 N -2.23 2.50 -0.54 1.61 2.02 -1.11 -1.17 117.35 118.43 3c4j s TYR 213 Ca 0.00 -0.28 -0.26 0.00 -0.37 0.00 0.00 57.07 56.17 3c4j s TYR 213 Cb 0.00 -1.23 0.03 0.00 -0.40 0.00 0.00 41.96 40.36 3c4j s TYR 213 CO 0.00 0.50 1.02 0.42 -1.57 0.00 0.00 175.55 175.92 3c4j s ILE 214 N -1.67 4.29 0.07 2.71 1.01 -1.26 -1.48 121.20 124.86 3c4j s ILE 214 Ca 0.23 0.60 -0.09 0.00 0.00 0.00 0.00 60.65 61.39 3c4j s ILE 214 Cb -0.08 -4.57 -0.29 0.00 0.01 0.00 0.00 42.46 37.52 3c4j s ILE 214 CO 0.13 -1.11 1.12 0.40 0.00 0.00 0.00 174.94 175.48 3c4j h ILE 215 N 6.08 1.40 -2.67 2.92 2.04 -0.77 -3.47 117.51 123.04 3c4j h ILE 215 Ca -0.25 -2.80 -0.09 0.00 1.00 0.00 0.00 64.86 62.71 3c4j h ILE 215 Cb 1.07 2.87 -0.19 0.00 -0.74 0.00 0.00 36.82 39.82 3c4j h ILE 215 CO 1.10 0.83 -0.10 -0.70 0.00 0.00 0.00 178.15 179.29 3c4j s GLU 216 N -2.77 0.83 0.29 2.37 2.12 -1.20 -4.99 118.70 115.35 3c4j s GLU 216 Ca -0.06 -0.05 0.03 0.00 0.36 0.00 0.00 54.97 55.25 3c4j s GLU 216 Cb 0.06 0.38 -0.03 0.00 0.26 0.00 0.00 34.13 34.80 3c4j s GLU 216 CO 0.91 -0.25 0.28 -1.83 -0.54 0.00 0.00 175.26 173.83 3c4j s GLU 217 N -1.37 1.63 0.00 4.30 -1.05 -1.26 -0.22 118.70 120.72 3c4j s GLU 217 Ca -0.12 -1.84 0.00 0.00 -0.15 0.00 0.00 54.97 52.86 3c4j s GLU 217 Cb -0.03 0.34 0.00 0.00 -0.44 0.00 0.00 34.13 34.00 3c4j s GLU 217 CO 0.06 -0.60 0.00 0.41 0.95 0.00 0.00 175.26 176.07 3c4j n GLY 218 N -0.51 0.39 3.70 -3.83 0.00 -1.02 -4.89 105.19 99.04 3c4j n GLY 218 Ca 0.05 -1.65 -0.39 0.00 0.00 0.00 0.00 46.02 44.03 3c4j n GLY 218 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3c4j n LYS 219 N -1.55 1.65 0.04 1.61 5.02 -1.26 -0.51 118.16 123.15 3c4j n LYS 219 Ca 0.00 0.60 -0.11 0.00 -2.02 0.00 0.00 58.31 56.78 3c4j n LYS 219 Cb 0.00 -2.42 -0.04 0.00 -0.02 0.00 0.00 35.03 32.55 3c4j n LYS 219 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3c4j h PRO 220 N 1.54 -0.40 -0.51 1.97 0.11 -1.86 0.31 132.00 133.17 3c4j h PRO 220 Ca -0.49 0.03 0.10 0.00 0.11 0.00 0.00 66.00 65.75 3c4j h PRO 220 Cb 1.31 0.09 -0.10 0.00 0.11 0.00 0.00 31.00 32.42 3c4j h PRO 220 CO 0.57 -0.27 -0.13 1.49 -0.21 0.00 0.00 178.00 179.45 3c4j h GLU 221 N -0.42 -0.00 -0.21 1.05 4.81 -1.92 0.37 114.58 118.26 3c4j h GLU 221 Ca 0.08 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 3c4j h GLU 221 Cb 0.53 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 3c4j h GLU 221 CO -0.29 -0.00 0.09 -0.44 -0.73 0.00 0.00 179.01 177.64 3c4j h ASP 222 N -0.00 0.28 0.31 1.04 3.32 -1.71 0.90 116.42 120.55 3c4j h ASP 222 Ca 0.24 -0.14 -0.17 0.00 0.02 0.00 0.00 57.03 56.98 3c4j h ASP 222 Cb 0.37 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 3c4j h ASP 222 CO -0.52 0.34 -0.68 0.25 -1.72 0.00 0.00 179.24 176.91 3c4j h LEU 223 N 0.20 0.40 -0.03 1.55 6.46 -0.09 -0.92 115.31 122.88 3c4j h LEU 223 Ca 0.07 -0.25 -0.23 0.00 -0.12 0.00 0.00 57.88 57.35 3c4j h LEU 223 Cb 0.14 -0.12 0.02 0.00 -0.73 0.00 0.00 40.66 39.98 3c4j h LEU 223 CO -0.01 0.96 -0.89 -0.26 -0.62 0.00 0.00 178.44 177.62 3c4j h PHE 224 N 0.24 0.95 0.00 1.25 0.04 -0.22 -3.29 116.94 115.90 3c4j h PHE 224 Ca -0.02 -0.50 -0.20 0.00 2.80 0.00 0.00 57.97 60.05 3c4j h PHE 224 Cb 1.23 -0.11 -0.04 0.00 2.20 0.00 0.00 35.95 39.23 3c4j h PHE 224 CO 0.03 1.33 -2.19 -0.25 -0.60 0.00 0.00 178.31 176.63 3c4j n ASP 225 N -3.96 0.11 -3.19 2.17 8.00 0.30 -4.65 116.55 115.34 3c4j n ASP 225 Ca -0.10 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.19 3c4j n ASP 225 Cb 0.81 1.42 -0.05 0.00 -0.02 0.00 0.00 41.12 43.28 3c4j n ASP 225 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 3c4j n ARG 226 N -2.52 0.96 -2.09 -1.24 1.85 -0.35 -5.05 116.66 108.22 3c4j n ARG 226 Ca -0.20 -3.38 -0.40 0.00 -1.00 0.00 0.00 57.85 52.87 3c4j n ARG 226 Cb 0.89 -1.53 -0.02 0.00 -1.05 0.00 0.00 32.46 30.75 3c4j n ARG 226 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 3c4j s PRO 227 N -1.95 4.24 -0.15 2.89 0.04 -1.23 -4.69 135.00 134.16 3c4j s PRO 227 Ca 0.38 2.21 0.10 0.00 0.04 0.00 0.00 61.00 63.73 3c4j s PRO 227 Cb 0.27 -2.98 -0.23 0.00 0.04 0.00 0.00 34.50 31.60 3c4j s PRO 227 CO -0.09 -0.28 0.26 1.04 0.04 0.00 0.00 177.00 177.96 3c4j n GLN 228 N 0.60 0.67 -3.51 4.56 1.13 -1.26 -4.88 117.38 114.70 3c4j n GLN 228 Ca 0.01 0.16 -0.38 0.00 -1.94 0.00 0.00 57.00 54.85 3c4j n GLN 228 Cb 0.42 -1.64 -0.06 0.00 0.11 0.00 0.00 30.24 29.07 3c4j n GLN 228 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 3c4j s HIS 229 N -2.54 3.71 0.38 1.08 2.46 -1.26 -5.00 115.29 114.12 3c4j s HIS 229 Ca -0.14 0.96 0.12 0.00 0.47 0.00 0.00 55.06 56.47 3c4j s HIS 229 Cb 0.07 -2.29 0.76 0.00 -0.13 0.00 0.00 32.58 30.99 3c4j s HIS 229 CO 0.78 0.61 1.86 0.93 -2.47 0.00 0.00 174.74 176.46 3c4j h GLU 230 N 4.88 0.08 -0.61 2.88 4.39 -1.99 -1.92 114.58 122.29 3c4j h GLU 230 Ca -0.51 -0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.08 3c4j h GLU 230 Cb 1.22 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.84 3c4j h GLU 230 CO 0.62 0.36 0.05 0.00 -1.16 0.00 0.00 179.01 178.89 3c4j h ARG 231 N 0.07 1.03 -0.34 2.33 2.47 -1.98 0.64 114.38 118.60 3c4j h ARG 231 Ca 0.01 -0.29 -0.03 0.00 -1.26 0.00 0.00 59.98 58.40 3c4j h ARG 231 Cb 0.55 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.74 3c4j h ARG 231 CO 0.04 0.98 0.08 1.15 0.56 0.00 0.00 179.97 182.78 3c4j h THR 232 N 0.96 1.22 -0.14 2.04 2.02 -1.85 -0.62 112.91 116.54 3c4j h THR 232 Ca 0.18 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.61 3c4j h THR 232 Cb 0.48 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 3c4j h THR 232 CO 0.02 0.26 0.08 0.11 0.37 0.00 0.00 175.52 176.36 3c4j h LYS 233 N 0.39 0.16 -0.75 6.66 1.57 -1.21 0.17 116.57 123.56 3c4j h LYS 233 Ca 0.11 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 3c4j h LYS 233 Cb 0.31 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 3c4j h LYS 233 CO 0.00 0.11 0.38 0.00 -0.57 0.00 0.00 179.45 179.37 3c4j h ALA 234 N 1.06 0.96 -0.47 3.86 0.00 -0.81 -1.04 119.26 122.82 3c4j h ALA 234 Ca 0.05 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 3c4j h ALA 234 Cb -0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3c4j h ALA 234 CO -0.02 0.50 -0.22 0.35 0.00 0.00 0.00 179.25 179.86 3c4j h PHE 235 N 1.04 1.09 -0.69 0.00 3.04 -0.94 -2.97 116.94 117.52 3c4j h PHE 235 Ca 0.26 -0.26 -0.06 0.00 3.98 0.00 0.00 57.97 61.89 3c4j h PHE 235 Cb 0.09 -0.26 -0.03 0.00 2.56 0.00 0.00 35.95 38.31 3c4j h PHE 235 CO 0.01 1.07 0.19 -0.07 -2.02 0.00 0.00 178.31 177.49 3c4j h LEU 236 N 0.82 1.02 -1.58 0.59 4.07 -0.67 -2.97 115.31 116.59 3c4j h LEU 236 Ca 0.11 -0.22 -0.02 0.00 0.08 0.00 0.00 57.88 57.83 3c4j h LEU 236 Cb 0.78 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 42.24 3c4j h LEU 236 CO 0.07 0.97 0.04 0.28 -1.08 0.00 0.00 178.44 178.72 3c4j h SER 237 N 1.02 0.27 0.21 -0.43 0.02 -1.12 0.18 113.55 113.70 3c4j h SER 237 Ca 0.22 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3c4j h SER 237 Cb 0.33 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.80 3c4j h SER 237 CO -0.00 0.30 -0.35 2.29 -1.14 0.00 0.00 176.83 177.93 3c4j n LYS 238 N -4.40 0.79 -0.02 3.45 2.85 -1.13 -4.50 118.16 115.21 3c4j n LYS 238 Ca 0.00 -0.51 -0.04 0.00 -1.05 0.00 0.00 58.31 56.71 3c4j n LYS 238 Cb 0.16 -1.49 -0.01 0.00 -0.65 0.00 0.00 35.03 33.04 3c4j n LYS 238 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 3c4j n VAL 239 N -0.66 0.19 0.68 0.58 0.31 -1.08 -5.12 118.33 113.23 3c4j n VAL 239 Ca 0.11 -0.05 0.08 0.00 -0.01 0.00 0.00 64.34 64.47 3c4j n VAL 239 Cb 0.37 -1.48 0.07 0.00 -0.91 0.00 0.00 33.84 31.88 3c4j n VAL 239 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00