#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gh4 s HIS -15 N 0.00 2.85 0.12 4.41 3.76 -1.26 -5.12 115.29 120.05 3gh4 s HIS -15 Ca 0.00 -0.15 0.03 0.00 -0.15 0.00 0.00 55.06 54.79 3gh4 s HIS -15 Cb 0.00 -1.72 -0.04 0.00 1.11 0.00 0.00 32.58 31.93 3gh4 s HIS -15 CO 0.00 0.19 -0.08 -1.01 -0.85 0.00 0.00 174.74 172.98 3gh4 s HIS -14 N -0.54 1.04 0.15 1.40 4.02 -1.26 -5.17 115.29 114.93 3gh4 s HIS -14 Ca 0.08 -0.84 -0.16 0.00 1.02 0.00 0.00 55.06 55.16 3gh4 s HIS -14 Cb -0.12 -0.57 0.03 0.00 -1.02 0.00 0.00 32.58 30.90 3gh4 s HIS -14 CO 0.02 -0.05 0.42 -3.38 1.02 0.00 0.00 174.74 172.77 3gh4 s HIS -13 N -3.43 -0.13 0.30 1.40 0.00 -1.26 -5.17 115.29 107.01 3gh4 s HIS -13 Ca 0.13 -0.20 0.06 0.00 -3.00 0.00 0.00 55.06 52.05 3gh4 s HIS -13 Cb 0.04 0.26 -0.02 0.00 -4.00 0.00 0.00 32.58 28.86 3gh4 s HIS -13 CO -0.02 -0.76 0.41 -1.54 -1.00 0.00 0.00 174.74 171.83 3gh4 s SER -12 N -2.84 6.00 0.10 7.38 1.04 -1.26 -5.11 113.70 119.02 3gh4 s SER -12 Ca 0.06 -0.14 -0.25 0.00 0.48 0.00 0.00 55.95 56.09 3gh4 s SER -12 Cb 0.01 -1.40 -0.07 0.00 0.10 0.00 0.00 66.02 64.66 3gh4 s SER -12 CO -0.09 -0.30 0.78 -0.44 0.98 0.00 0.00 173.24 174.17 3gh4 s SER -11 N -4.09 7.31 0.28 7.02 0.01 -1.26 -5.08 113.70 117.89 3gh4 s SER -11 Ca 0.41 1.56 0.04 0.00 1.31 0.00 0.00 55.95 59.26 3gh4 s SER -11 Cb -0.09 -2.49 0.04 0.00 0.21 0.00 0.00 66.02 63.69 3gh4 s SER -11 CO 0.30 0.10 0.31 0.61 0.41 0.00 0.00 173.24 174.97 3gh4 n GLY -10 N 2.02 2.33 3.76 3.44 0.00 -1.26 -5.10 105.19 110.37 3gh4 n GLY -10 Ca -0.04 -2.20 -0.34 0.00 0.00 0.00 0.00 46.02 43.44 3gh4 n GLY -10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gh4 s LEU -9 N 0.00 3.49 0.01 0.99 1.43 -1.26 -4.81 118.68 118.53 3gh4 s LEU -9 Ca 0.24 2.20 -0.30 0.00 -1.03 0.00 0.00 54.13 55.23 3gh4 s LEU -9 Cb -0.02 -4.58 -0.04 0.00 0.03 0.00 0.00 46.19 41.58 3gh4 s LEU -9 CO 0.15 -1.71 1.16 -0.69 0.23 0.00 0.00 176.35 175.49 3gh4 s VAL -8 N -2.00 4.26 0.22 -1.59 1.01 -0.07 -4.98 120.40 117.25 3gh4 s VAL -8 Ca 0.72 1.61 -0.32 0.00 0.00 0.00 0.00 61.98 63.99 3gh4 s VAL -8 Cb -0.25 -4.03 -0.13 0.00 0.00 0.00 0.00 36.38 31.96 3gh4 s VAL -8 CO 0.38 0.09 1.56 -2.65 0.00 0.00 0.00 175.10 174.48 3gh4 n PRO -7 N 4.30 2.36 -1.02 2.72 -0.02 -1.26 -2.07 135.00 140.01 3gh4 n PRO -7 Ca 0.09 0.84 -0.01 0.00 -2.02 0.00 0.00 63.50 62.41 3gh4 n PRO -7 Cb 0.47 -2.60 -0.00 0.00 -0.02 0.00 0.00 33.50 31.35 3gh4 n PRO -7 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3gh4 n ARG -6 N 2.87 -0.38 0.00 -0.52 5.12 -1.26 -4.90 116.66 117.59 3gh4 n ARG -6 Ca 0.13 0.18 0.00 0.00 -1.93 0.00 0.00 57.85 56.23 3gh4 n ARG -6 Cb 0.32 -3.53 0.00 0.00 -1.16 0.00 0.00 32.46 28.10 3gh4 n ARG -6 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3gh4 n GLY -5 N -2.24 1.40 3.71 -0.13 0.00 -0.88 -5.01 105.19 102.04 3gh4 n GLY -5 Ca -0.01 -2.10 -0.43 0.00 0.00 0.00 0.00 46.02 43.49 3gh4 n GLY -5 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gh4 n SER -4 N 0.00 3.23 0.25 1.61 2.88 -1.26 -4.69 113.62 115.63 3gh4 n SER -4 Ca 0.00 1.17 0.17 0.00 -1.33 0.00 0.00 58.87 58.88 3gh4 n SER -4 Cb 0.00 -1.52 0.71 0.00 -0.75 0.00 0.00 64.21 62.65 3gh4 n SER -4 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 3gh4 h HIS -3 N 3.81 0.00 0.00 0.66 -0.00 -0.51 -2.31 115.15 116.79 3gh4 h HIS -3 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.90 3gh4 h HIS -3 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.67 3gh4 h HIS -3 CO 0.55 0.00 0.00 -1.33 -0.00 0.00 0.00 177.93 177.15 3gh4 n MET -2 N -2.85 0.98 -0.07 2.45 2.81 -1.25 -1.08 117.12 118.11 3gh4 n MET -2 Ca 0.00 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.77 3gh4 n MET -2 Cb 0.24 -1.29 -0.05 0.00 -0.71 0.00 0.00 33.22 31.41 3gh4 n MET -2 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3gh4 n ALA -1 N -0.79 1.98 0.08 3.04 0.00 -0.93 -4.82 120.51 119.07 3gh4 n ALA -1 Ca 0.14 -0.54 -0.09 0.00 0.00 0.00 0.00 53.44 52.95 3gh4 n ALA -1 Cb 0.06 0.28 -0.05 0.00 0.00 0.00 0.00 19.45 19.75 3gh4 n ALA -1 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3gh4 h SER 0 N -0.30 0.24 -0.41 0.00 4.64 -1.22 -3.51 113.55 112.99 3gh4 h SER 0 Ca -0.32 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 3gh4 h SER 0 Cb 1.35 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3gh4 h SER 0 CO -0.15 1.06 0.00 1.15 -0.87 0.00 0.00 176.83 178.02 3gh4 n MET 1 N -3.59 0.29 0.00 4.77 0.00 -0.24 -5.08 117.12 113.27 3gh4 n MET 1 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.66 3gh4 n MET 1 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 33.22 34.08 3gh4 n MET 1 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 3gh4 n SER 14 N -0.91 0.00 -3.68 3.17 7.64 -1.26 -5.10 113.62 113.47 3gh4 n SER 14 Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.60 3gh4 n SER 14 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 3gh4 n SER 14 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 3gh4 s GLN 15 N 0.00 1.77 0.76 1.43 0.74 -1.26 -5.01 119.66 118.09 3gh4 s GLN 15 Ca 0.00 -2.77 -0.15 0.00 0.05 0.00 0.00 55.36 52.49 3gh4 s GLN 15 Cb 0.00 -2.55 0.05 0.00 1.10 0.00 0.00 33.01 31.61 3gh4 s GLN 15 CO 0.00 -1.32 1.20 -2.30 -0.55 0.00 0.00 175.29 172.32 3gh4 n PRO 16 N 2.41 0.45 -3.50 1.67 -0.02 -1.26 -4.79 135.00 129.96 3gh4 n PRO 16 Ca 0.23 0.22 -0.27 0.00 -2.02 0.00 0.00 63.50 61.67 3gh4 n PRO 16 Cb 0.40 -2.44 -0.10 0.00 -0.02 0.00 0.00 33.50 31.34 3gh4 n PRO 16 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3gh4 n SER 17 N -2.78 0.94 -4.63 2.55 2.88 -0.03 -5.00 113.62 107.55 3gh4 n SER 17 Ca 0.14 -2.74 -0.42 0.00 -1.33 0.00 0.00 58.87 54.52 3gh4 n SER 17 Cb 0.50 -0.63 -0.04 0.00 -0.75 0.00 0.00 64.21 63.28 3gh4 n SER 17 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3gh4 s ILE 18 N -0.78 4.79 -0.06 2.46 1.01 -1.26 -4.84 121.20 122.52 3gh4 s ILE 18 Ca 0.32 1.46 -0.02 0.00 0.00 0.00 0.00 60.65 62.40 3gh4 s ILE 18 Cb 0.05 -4.16 0.04 0.00 0.01 0.00 0.00 42.46 38.40 3gh4 s ILE 18 CO -0.16 -0.17 0.12 -0.76 0.00 0.00 0.00 174.94 173.97 3gh4 s LEU 19 N 2.96 0.46 0.83 2.97 1.02 -1.26 -3.94 118.68 121.71 3gh4 s LEU 19 Ca 0.35 0.24 -0.10 0.00 0.02 0.00 0.00 54.13 54.63 3gh4 s LEU 19 Cb -0.15 0.19 0.09 0.00 0.02 0.00 0.00 46.19 46.35 3gh4 s LEU 19 CO 0.10 -0.19 1.11 -2.84 0.02 0.00 0.00 176.35 174.55 3gh4 s PRO 20 N 1.64 1.77 0.13 1.29 0.02 -1.26 -4.70 135.00 133.87 3gh4 s PRO 20 Ca -0.03 1.26 -0.31 0.00 0.02 0.00 0.00 61.00 61.94 3gh4 s PRO 20 Cb -0.12 -1.83 -0.10 0.00 0.02 0.00 0.00 34.50 32.47 3gh4 s PRO 20 CO -0.05 -2.02 1.68 0.21 -0.33 0.00 0.00 177.00 176.50 3gh4 s LYS 21 N -4.82 4.18 0.74 5.54 2.20 -1.25 -4.99 119.74 121.34 3gh4 s LYS 21 Ca 0.63 2.44 -0.12 0.00 -0.36 0.00 0.00 55.97 58.57 3gh4 s LYS 21 Cb -0.19 -3.41 0.04 0.00 -1.51 0.00 0.00 37.83 32.76 3gh4 s LYS 21 CO 0.57 -0.73 1.11 -1.25 -0.36 0.00 0.00 175.35 174.69 3gh4 s PRO 22 N 2.06 2.53 0.23 4.03 0.04 -1.26 -4.55 135.00 138.07 3gh4 s PRO 22 Ca 0.75 0.44 -0.06 0.00 0.04 0.00 0.00 61.00 62.16 3gh4 s PRO 22 Cb -0.44 -1.99 0.30 0.00 0.04 0.00 0.00 34.50 32.42 3gh4 s PRO 22 CO 0.33 -1.26 1.85 0.28 0.04 0.00 0.00 177.00 178.23 3gh4 h VAL 23 N -0.82 1.05 -3.14 -0.36 2.07 -1.82 -3.43 116.25 109.80 3gh4 h VAL 23 Ca -0.46 -0.32 -0.15 0.00 0.82 0.00 0.00 66.70 66.59 3gh4 h VAL 23 Cb 1.27 0.02 -0.23 0.00 -1.52 0.00 0.00 31.29 30.83 3gh4 h VAL 23 CO 0.63 0.17 -0.38 -0.94 0.02 0.00 0.00 177.57 177.07 3gh4 s SER 24 N -5.77 -0.20 -0.20 0.57 1.04 -0.66 -4.99 113.70 103.49 3gh4 s SER 24 Ca -0.13 0.30 -0.05 0.00 0.48 0.00 0.00 55.95 56.55 3gh4 s SER 24 Cb 0.18 0.43 0.10 0.00 0.10 0.00 0.00 66.02 66.83 3gh4 s SER 24 CO 0.79 -0.23 0.38 -0.47 0.98 0.00 0.00 173.24 174.68 3gh4 s TYR 25 N -0.50 -0.73 0.13 5.02 5.04 -1.26 -2.39 117.35 122.65 3gh4 s TYR 25 Ca -0.06 1.20 0.08 0.00 -2.44 0.00 0.00 57.07 55.85 3gh4 s TYR 25 Cb -0.04 0.15 -0.04 0.00 0.35 0.00 0.00 41.96 42.38 3gh4 s TYR 25 CO 0.02 -0.53 -0.18 0.95 -1.34 0.00 0.00 175.55 174.46 3gh4 s THR 26 N 2.56 1.67 -0.04 4.34 -4.23 -0.38 -4.98 115.64 114.58 3gh4 s THR 26 Ca 0.03 -1.72 0.05 0.00 -1.18 0.00 0.00 61.69 58.88 3gh4 s THR 26 Cb -0.13 -1.65 -0.01 0.00 1.34 0.00 0.00 72.50 72.05 3gh4 s THR 26 CO -0.13 -0.23 -0.20 -0.69 -0.54 0.00 0.00 174.62 172.84 3gh4 s VAL 27 N -1.69 1.61 0.12 2.29 1.01 -1.26 -0.69 120.40 121.78 3gh4 s VAL 27 Ca 0.10 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.26 3gh4 s VAL 27 Cb -0.07 -1.36 0.01 0.00 0.00 0.00 0.00 36.38 34.95 3gh4 s VAL 27 CO 0.05 0.46 0.04 0.61 0.00 0.00 0.00 175.10 176.26 3gh4 n GLY 28 N 2.98 3.55 3.83 4.51 0.00 0.28 -4.97 105.19 115.38 3gh4 n GLY 28 Ca -0.17 -2.22 -0.33 0.00 0.00 0.00 0.00 46.02 43.29 3gh4 n GLY 28 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gh4 s SER 29 N -1.67 6.89 0.00 1.61 1.04 -1.26 -4.41 113.70 115.89 3gh4 s SER 29 Ca 0.03 1.45 0.00 0.00 0.48 0.00 0.00 55.95 57.91 3gh4 s SER 29 Cb -0.00 -2.44 0.00 0.00 0.10 0.00 0.00 66.02 63.68 3gh4 s SER 29 CO 0.02 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.63 3gh4 n GLY 30 N -0.27 0.16 3.45 7.32 0.00 -1.26 -4.63 105.19 109.96 3gh4 n GLY 30 Ca 0.04 -1.95 -0.15 0.00 0.00 0.00 0.00 46.02 43.95 3gh4 n GLY 30 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3gh4 s GLN 31 N -1.27 1.12 -0.05 1.61 -2.07 -1.26 -1.34 119.66 116.39 3gh4 s GLN 31 Ca 0.00 -0.10 -0.08 0.00 -1.82 0.00 0.00 55.36 53.36 3gh4 s GLN 31 Cb 0.00 0.52 -0.05 0.00 -1.09 0.00 0.00 33.01 32.39 3gh4 s GLN 31 CO 0.00 -0.41 0.23 0.12 -1.32 0.00 0.00 175.29 173.91 3gh4 s PHE 32 N -2.31 3.61 -0.17 9.60 5.36 0.71 -4.32 117.98 130.46 3gh4 s PHE 32 Ca -0.06 0.60 0.00 0.00 -0.96 0.00 0.00 56.93 56.52 3gh4 s PHE 32 Cb -0.01 -2.00 0.00 0.00 -0.34 0.00 0.00 43.02 40.68 3gh4 s PHE 32 CO -0.00 0.68 -0.16 0.08 -1.46 0.00 0.00 175.22 174.36 3gh4 s VAL 33 N -1.15 2.55 -0.33 3.12 1.01 -1.26 -0.65 120.40 123.69 3gh4 s VAL 33 Ca 0.22 -0.79 -0.28 0.00 0.00 0.00 0.00 61.98 61.12 3gh4 s VAL 33 Cb -0.13 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 34.18 3gh4 s VAL 33 CO 0.11 0.51 1.02 -0.22 0.00 0.00 0.00 175.10 176.52 3gh4 s LEU 34 N 1.04 3.95 0.46 3.92 2.96 0.13 -4.93 118.68 126.22 3gh4 s LEU 34 Ca -0.01 0.91 0.05 0.00 -0.22 0.00 0.00 54.13 54.86 3gh4 s LEU 34 Cb -0.15 -3.44 -0.03 0.00 0.50 0.00 0.00 46.19 43.08 3gh4 s LEU 34 CO -0.04 -0.86 0.18 0.42 -1.32 0.00 0.00 176.35 174.73 3gh4 s THR 35 N 3.57 1.88 -0.11 3.68 -4.23 -1.26 -4.50 115.64 114.67 3gh4 s THR 35 Ca 0.43 -1.74 0.27 0.00 -1.18 0.00 0.00 61.69 59.47 3gh4 s THR 35 Cb -0.12 -2.62 0.28 0.00 1.34 0.00 0.00 72.50 71.38 3gh4 s THR 35 CO 0.16 0.00 1.83 0.07 -0.54 0.00 0.00 174.62 176.14 3gh4 h LYS 36 N 1.29 0.00 -0.01 3.99 2.10 -1.99 -2.11 116.57 119.84 3gh4 h LYS 36 Ca -0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 3gh4 h LYS 36 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 3gh4 h LYS 36 CO 0.69 0.00 -0.20 0.09 -2.00 0.00 0.00 179.45 178.03 3gh4 n ASN 37 N -2.48 1.57 -4.77 7.07 3.02 -1.26 -4.63 115.26 113.78 3gh4 n ASN 37 Ca -0.00 -1.30 -0.39 0.00 -0.03 0.00 0.00 54.58 52.86 3gh4 n ASN 37 Cb 0.13 0.15 -0.00 0.00 -0.61 0.00 0.00 39.78 39.45 3gh4 n ASN 37 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gh4 s ALA 38 N -2.30 3.16 0.26 5.41 0.00 -0.80 -5.02 121.76 122.48 3gh4 s ALA 38 Ca 0.27 1.20 0.11 0.00 0.00 0.00 0.00 51.96 53.54 3gh4 s ALA 38 Cb 0.20 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.79 3gh4 s ALA 38 CO 0.45 -0.86 -0.18 -1.12 0.00 0.00 0.00 175.76 174.05 3gh4 s SER 39 N -0.86 3.32 -0.26 0.00 0.01 -1.26 -4.21 113.70 110.44 3gh4 s SER 39 Ca 0.60 -1.03 -0.08 0.00 1.31 0.00 0.00 55.95 56.74 3gh4 s SER 39 Cb -0.37 -0.26 -0.03 0.00 0.21 0.00 0.00 66.02 65.58 3gh4 s SER 39 CO 0.47 -0.02 0.10 -0.63 0.41 0.00 0.00 173.24 173.57 3gh4 s ILE 40 N -2.64 4.53 -0.08 1.44 1.01 -0.30 -1.99 121.20 123.18 3gh4 s ILE 40 Ca 0.28 -0.15 -0.11 0.00 0.00 0.00 0.00 60.65 60.67 3gh4 s ILE 40 Cb -0.04 -3.15 -0.05 0.00 0.01 0.00 0.00 42.46 39.23 3gh4 s ILE 40 CO 0.13 0.28 0.27 -0.36 0.00 0.00 0.00 174.94 175.26 3gh4 s PHE 41 N 1.64 3.64 -0.00 3.97 0.40 0.87 -0.38 117.98 128.12 3gh4 s PHE 41 Ca 0.06 0.73 0.05 0.00 -0.60 0.00 0.00 56.93 57.17 3gh4 s PHE 41 Cb -0.16 -2.13 -0.01 0.00 0.51 0.00 0.00 43.02 41.23 3gh4 s PHE 41 CO 0.05 0.64 -0.17 0.14 0.70 0.00 0.00 175.22 176.58 3gh4 s VAL 42 N -0.86 1.32 -0.21 -0.44 -7.23 0.07 -0.80 120.40 112.25 3gh4 s VAL 42 Ca 0.19 -0.79 -0.05 0.00 -1.81 0.00 0.00 61.98 59.52 3gh4 s VAL 42 Cb -0.14 -1.11 0.10 0.00 0.56 0.00 0.00 36.38 35.79 3gh4 s VAL 42 CO 0.08 0.31 0.38 0.00 -0.31 0.00 0.00 175.10 175.56 3gh4 s ALA 43 N -0.48 -1.04 0.45 1.32 0.00 -0.67 -1.89 121.76 119.45 3gh4 s ALA 43 Ca 0.06 1.18 0.04 0.00 0.00 0.00 0.00 51.96 53.24 3gh4 s ALA 43 Cb -0.07 -1.43 0.04 0.00 0.00 0.00 0.00 23.12 21.67 3gh4 s ALA 43 CO -0.00 -0.95 0.37 0.41 0.00 0.00 0.00 175.76 175.59 3gh4 n GLY 44 N 5.37 2.70 0.13 0.00 0.00 -1.26 -2.52 105.19 109.62 3gh4 n GLY 44 Ca -0.06 -2.27 0.13 0.00 0.00 0.00 0.00 46.02 43.82 3gh4 n GLY 44 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3gh4 h ASN 45 N 0.48 0.00 -5.23 1.61 4.21 -1.91 -3.44 115.58 111.31 3gh4 h ASN 45 Ca -0.28 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.16 3gh4 h ASN 45 Cb 1.04 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 38.17 3gh4 h ASN 45 CO 0.43 0.00 -0.04 0.54 -1.29 0.00 0.00 177.43 177.07 3gh4 s ASN 46 N -4.70 0.06 0.35 5.81 6.03 -1.26 -5.04 114.94 116.20 3gh4 s ASN 46 Ca 0.09 -1.01 0.04 0.00 -1.03 0.00 0.00 52.86 50.95 3gh4 s ASN 46 Cb 0.11 0.65 0.66 0.00 -3.03 0.00 0.00 41.25 39.63 3gh4 s ASN 46 CO 0.57 -1.26 1.97 -0.37 -2.03 0.00 0.00 177.10 175.98 3gh4 h VAL 47 N 2.17 1.16 -0.47 3.54 -1.51 -1.99 -0.39 116.25 118.76 3gh4 h VAL 47 Ca -0.26 -0.45 -0.03 0.00 -1.23 0.00 0.00 66.70 64.72 3gh4 h VAL 47 Cb 1.25 0.53 -0.02 0.00 -2.13 0.00 0.00 31.29 30.91 3gh4 h VAL 47 CO 0.35 0.19 0.16 1.23 -1.23 0.00 0.00 177.57 178.27 3gh4 h GLY 48 N 0.79 0.77 0.96 5.19 0.00 -1.98 -0.06 103.07 108.74 3gh4 h GLY 48 Ca 0.17 -0.44 -0.11 0.00 0.00 0.00 0.00 47.33 46.95 3gh4 h GLY 48 CO -0.02 0.41 -0.25 -2.09 0.00 0.00 0.00 176.54 174.59 3gh4 h GLU 49 N 0.62 0.70 -0.98 4.80 4.81 -1.83 -2.42 114.58 120.28 3gh4 h GLU 49 Ca 0.15 -0.35 0.11 0.00 -0.13 0.00 0.00 59.36 59.14 3gh4 h GLU 49 Cb 0.24 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.54 3gh4 h GLU 49 CO -0.01 0.96 0.62 1.15 -0.73 0.00 0.00 179.01 181.00 3gh4 h THR 50 N 0.44 0.94 -0.59 0.32 2.02 -0.92 -0.59 112.91 114.53 3gh4 h THR 50 Ca 0.05 -0.34 -0.06 0.00 0.77 0.00 0.00 66.41 66.83 3gh4 h THR 50 Cb 0.81 -0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 3gh4 h THR 50 CO 0.06 0.18 0.13 0.44 0.37 0.00 0.00 175.52 176.71 3gh4 h ASP 51 N 1.00 0.88 -0.33 4.18 3.32 -0.70 0.16 116.42 124.93 3gh4 h ASP 51 Ca 0.48 -0.17 -0.11 0.00 0.02 0.00 0.00 57.03 57.24 3gh4 h ASP 51 Cb 0.43 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3gh4 h ASP 51 CO -0.25 0.86 -0.24 -0.08 -1.72 0.00 0.00 179.24 177.81 3gh4 h GLU 52 N 0.89 0.73 -0.69 3.56 4.81 -0.91 -2.52 114.58 120.45 3gh4 h GLU 52 Ca 0.19 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 3gh4 h GLU 52 Cb 0.34 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 3gh4 h GLU 52 CO 0.00 0.97 0.44 -0.07 -0.73 0.00 0.00 179.01 179.62 3gh4 h LEU 53 N 0.50 0.81 -0.71 1.64 3.38 -0.82 -2.21 115.31 117.90 3gh4 h LEU 53 Ca 0.06 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.05 3gh4 h LEU 53 Cb 0.80 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 3gh4 h LEU 53 CO 0.06 0.60 0.42 0.15 0.09 0.00 0.00 178.44 179.76 3gh4 h PHE 54 N 0.94 0.78 -0.53 1.13 3.04 -0.41 0.29 116.94 122.19 3gh4 h PHE 54 Ca 0.25 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.18 3gh4 h PHE 54 Cb -0.07 -0.25 -0.02 0.00 2.56 0.00 0.00 35.95 38.17 3gh4 h PHE 54 CO 0.00 0.40 0.17 -0.91 -2.02 0.00 0.00 178.31 175.95 3gh4 h ASN 55 N 0.79 0.77 -0.25 0.41 2.35 -0.99 -0.59 115.58 118.06 3gh4 h ASN 55 Ca 0.30 -0.20 0.01 0.00 -0.55 0.00 0.00 56.30 55.86 3gh4 h ASN 55 Cb 0.13 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 3gh4 h ASN 55 CO -0.15 0.77 0.13 0.40 -1.65 0.00 0.00 177.43 176.92 3gh4 h ILE 56 N 0.72 1.01 -0.73 2.81 2.04 -0.95 -1.83 117.51 120.59 3gh4 h ILE 56 Ca 0.17 -0.09 0.11 0.00 1.00 0.00 0.00 64.86 66.05 3gh4 h ILE 56 Cb 0.27 0.71 -0.08 0.00 -0.74 0.00 0.00 36.82 36.98 3gh4 h ILE 56 CO -0.01 0.05 0.33 1.23 0.00 0.00 0.00 178.15 179.75 3gh4 h GLY 57 N 0.27 1.10 1.34 5.37 0.00 -0.19 -1.44 103.07 109.53 3gh4 h GLY 57 Ca 0.10 -0.19 -0.08 0.00 0.00 0.00 0.00 47.33 47.17 3gh4 h GLY 57 CO -0.06 -0.01 -0.01 1.46 0.00 0.00 0.00 176.54 177.92 3gh4 h GLN 58 N 0.53 0.80 -0.51 4.80 4.20 -0.62 -0.01 115.11 124.30 3gh4 h GLN 58 Ca 0.38 -0.22 -0.06 0.00 0.06 0.00 0.00 58.65 58.81 3gh4 h GLN 58 Cb 0.48 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 3gh4 h GLN 58 CO -0.33 0.81 0.10 0.00 -0.67 0.00 0.00 178.83 178.74 3gh4 h ALA 59 N 1.24 0.67 -0.42 3.87 0.00 -0.85 -0.47 119.26 123.30 3gh4 h ALA 59 Ca 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3gh4 h ALA 59 Cb 0.47 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3gh4 h ALA 59 CO 0.02 0.40 0.22 1.25 0.00 0.00 0.00 179.25 181.14 3gh4 h LEU 60 N 0.72 0.54 -0.22 0.00 5.85 -0.95 -2.42 115.31 118.82 3gh4 h LEU 60 Ca 0.16 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3gh4 h LEU 60 Cb 0.38 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3gh4 h LEU 60 CO 0.01 0.50 0.15 0.00 -0.34 0.00 0.00 178.44 178.75 3gh4 h ALA 61 N 1.07 0.29 -0.54 1.25 0.00 -0.72 -0.87 119.26 119.74 3gh4 h ALA 61 Ca 0.15 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.15 3gh4 h ALA 61 Cb 0.09 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 17.70 3gh4 h ALA 61 CO -0.02 -0.24 0.02 -0.22 0.00 0.00 0.00 179.25 178.79 3gh4 h LYS 62 N 0.30 0.13 -0.28 0.00 3.64 -1.02 0.22 116.57 119.57 3gh4 h LYS 62 Ca 0.08 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 3gh4 h LYS 62 Cb -0.04 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 3gh4 h LYS 62 CO -0.02 0.09 0.11 0.87 -2.27 0.00 0.00 179.45 178.23 3gh4 h LYS 63 N 0.13 0.42 -0.70 1.90 1.57 -0.94 -2.38 116.57 116.58 3gh4 h LYS 63 Ca 0.28 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.91 3gh4 h LYS 63 Cb 0.42 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 3gh4 h LYS 63 CO -0.44 0.45 0.15 -0.07 -0.57 0.00 0.00 179.45 178.97 3gh4 h LEU 64 N 0.30 1.07 -1.18 2.94 3.38 -0.83 -2.99 115.31 117.99 3gh4 h LEU 64 Ca 0.09 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 3gh4 h LEU 64 Cb 0.19 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3gh4 h LEU 64 CO -0.01 1.03 0.01 0.78 0.09 0.00 0.00 178.44 180.34 3gh4 h ASN 65 N 1.06 0.54 -0.61 -0.43 -0.26 -0.45 -1.76 115.58 113.67 3gh4 h ASN 65 Ca 0.22 -0.10 -0.05 0.00 -0.56 0.00 0.00 56.30 55.80 3gh4 h ASN 65 Cb 0.39 -0.14 -0.03 0.00 -1.06 0.00 0.00 38.32 37.48 3gh4 h ASN 65 CO 0.01 0.60 0.20 0.00 -1.06 0.00 0.00 177.43 177.18 3gh4 h ALA 66 N 1.47 1.14 0.03 -0.83 0.00 -1.27 0.55 119.26 120.34 3gh4 h ALA 66 Ca 0.12 -0.20 -0.35 0.00 0.00 0.00 0.00 54.91 54.47 3gh4 h ALA 66 Cb 0.34 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 3gh4 h ALA 66 CO 0.01 0.60 -2.11 -1.13 0.00 0.00 0.00 179.25 176.62 3gh4 n SER 67 N -4.27 1.14 0.14 0.00 3.41 -1.20 -2.34 113.62 110.50 3gh4 n SER 67 Ca 0.05 0.15 0.05 0.00 -0.26 0.00 0.00 58.87 58.86 3gh4 n SER 67 Cb 0.21 -0.03 0.04 0.00 -0.26 0.00 0.00 64.21 64.17 3gh4 n SER 67 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3gh4 h THR 68 N 0.02 0.57 -0.04 6.66 1.35 -1.34 0.27 112.91 120.40 3gh4 h THR 68 Ca -0.45 -1.85 -0.02 0.00 -0.55 0.00 0.00 66.41 63.55 3gh4 h THR 68 Cb 2.06 2.22 -0.01 0.00 -1.73 0.00 0.00 68.15 70.69 3gh4 h THR 68 CO 0.04 0.33 -0.01 0.61 -0.25 0.00 0.00 175.52 176.23 3gh4 n GLY 69 N 1.22 0.37 3.91 5.82 0.00 0.18 -4.79 105.19 111.91 3gh4 n GLY 69 Ca 0.01 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 3gh4 n GLY 69 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gh4 s TYR 70 N -1.68 2.55 -0.59 1.61 2.02 -1.23 -5.03 117.35 115.00 3gh4 s TYR 70 Ca 0.00 0.63 0.06 0.00 -0.37 0.00 0.00 57.07 57.39 3gh4 s TYR 70 Cb 0.00 -3.68 0.27 0.00 -0.40 0.00 0.00 41.96 38.16 3gh4 s TYR 70 CO 0.00 -2.04 0.77 0.25 -1.57 0.00 0.00 175.55 172.96 3gh4 n THR 71 N -3.45 2.10 -1.99 -0.71 -2.24 -1.26 -4.56 114.28 102.16 3gh4 n THR 71 Ca 0.10 -5.15 -0.42 0.00 -2.27 0.00 0.00 64.05 56.31 3gh4 n THR 71 Cb 0.61 -1.85 -0.03 0.00 -2.10 0.00 0.00 70.33 66.96 3gh4 n THR 71 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3gh4 s ILE 72 N -2.80 2.94 0.38 2.28 1.01 -1.26 -5.01 121.20 118.74 3gh4 s ILE 72 Ca 0.42 0.59 0.08 0.00 0.00 0.00 0.00 60.65 61.73 3gh4 s ILE 72 Cb 0.19 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.24 3gh4 s ILE 72 CO -0.05 0.03 0.20 -0.94 0.00 0.00 0.00 174.94 174.17 3gh4 s SER 73 N 1.56 4.63 -0.07 3.58 1.04 -1.26 -4.82 113.70 118.36 3gh4 s SER 73 Ca 0.70 -0.90 0.03 0.00 0.48 0.00 0.00 55.95 56.25 3gh4 s SER 73 Cb -0.40 -0.59 -0.02 0.00 0.10 0.00 0.00 66.02 65.10 3gh4 s SER 73 CO 0.31 -0.46 -0.14 -0.69 0.98 0.00 0.00 173.24 173.24 3gh4 s VAL 74 N -2.51 3.06 -0.05 5.02 1.01 -1.26 -1.15 120.40 124.52 3gh4 s VAL 74 Ca 0.41 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.73 3gh4 s VAL 74 Cb 0.00 -2.22 -0.00 0.00 0.00 0.00 0.00 36.38 34.16 3gh4 s VAL 74 CO 0.23 0.57 -0.18 -0.69 0.00 0.00 0.00 175.10 175.04 3gh4 s VAL 75 N -0.42 1.52 -0.80 2.92 1.01 0.49 -4.95 120.40 120.17 3gh4 s VAL 75 Ca 0.05 -0.76 -0.22 0.00 0.00 0.00 0.00 61.98 61.05 3gh4 s VAL 75 Cb -0.12 -1.30 0.08 0.00 0.00 0.00 0.00 36.38 35.03 3gh4 s VAL 75 CO 0.02 0.43 1.13 -0.54 0.00 0.00 0.00 175.10 176.15 3gh4 s LYS 76 N 0.04 3.33 -0.18 2.72 1.02 -1.26 -0.75 119.74 124.66 3gh4 s LYS 76 Ca -0.05 -1.05 -0.28 0.00 0.02 0.00 0.00 55.97 54.61 3gh4 s LYS 76 Cb -0.12 -4.59 0.10 0.00 -0.52 0.00 0.00 37.83 32.70 3gh4 s LYS 76 CO 0.03 -1.92 0.86 0.45 -0.92 0.00 0.00 175.35 173.85 3gh4 s SER 77 N 3.88 -0.54 -0.20 2.83 0.15 -0.79 -4.94 113.70 114.09 3gh4 s SER 77 Ca 0.31 0.79 0.13 0.00 0.70 0.00 0.00 55.95 57.88 3gh4 s SER 77 Cb -0.10 0.72 0.74 0.00 -1.71 0.00 0.00 66.02 65.67 3gh4 s SER 77 CO 0.02 -0.36 1.62 -0.46 1.20 0.00 0.00 173.24 175.27 3gh4 n ASN 78 N 1.48 5.18 -3.23 5.45 6.94 -1.26 -3.65 115.26 126.17 3gh4 n ASN 78 Ca -0.14 -2.78 -0.27 0.00 -0.02 0.00 0.00 54.58 51.37 3gh4 n ASN 78 Cb 0.57 -0.65 -0.06 0.00 -2.36 0.00 0.00 39.78 37.27 3gh4 n ASN 78 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3gh4 n GLN 79 N 0.64 2.75 -1.77 -3.83 6.02 -1.26 -5.09 117.38 114.84 3gh4 n GLN 79 Ca 0.25 -4.71 -0.38 0.00 -0.01 0.00 0.00 57.00 52.15 3gh4 n GLN 79 Cb 1.07 -2.23 0.04 0.00 1.02 0.00 0.00 30.24 30.15 3gh4 n GLN 79 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3gh4 s PRO 80 N -2.84 3.16 0.27 -1.09 0.04 -1.26 -5.01 135.00 128.27 3gh4 s PRO 80 Ca 0.43 2.26 -0.02 0.00 0.04 0.00 0.00 61.00 63.71 3gh4 s PRO 80 Cb 0.20 -2.28 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 3gh4 s PRO 80 CO -0.06 -1.18 0.50 0.99 0.04 0.00 0.00 177.00 177.28 3gh4 s THR 81 N -1.29 5.10 0.30 1.26 2.01 -1.26 -5.00 115.64 116.76 3gh4 s THR 81 Ca 0.71 -0.18 -0.29 0.00 0.31 0.00 0.00 61.69 62.23 3gh4 s THR 81 Cb -0.41 -3.76 -0.13 0.00 0.01 0.00 0.00 72.50 68.22 3gh4 s THR 81 CO 0.49 -0.32 1.37 0.00 -0.69 0.00 0.00 174.62 175.47 3gh4 n ALA 82 N -1.00 1.41 -0.71 7.40 0.00 -1.26 -1.59 120.51 124.75 3gh4 n ALA 82 Ca -0.03 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.79 3gh4 n ALA 82 Cb 0.54 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.70 3gh4 n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gh4 n GLY 83 N 1.42 0.72 3.88 0.00 0.00 0.23 -5.01 105.19 106.44 3gh4 n GLY 83 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 3gh4 n GLY 83 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gh4 s SER 84 N -2.37 6.49 -0.12 1.61 0.01 -0.62 -4.51 113.70 114.19 3gh4 s SER 84 Ca 0.00 1.00 -0.11 0.00 1.31 0.00 0.00 55.95 58.15 3gh4 s SER 84 Cb 0.00 -2.27 -0.05 0.00 0.21 0.00 0.00 66.02 63.92 3gh4 s SER 84 CO 0.00 -0.35 0.24 -0.63 0.41 0.00 0.00 173.24 172.91 3gh4 s ILE 85 N -2.30 5.34 -0.11 1.44 1.01 -0.84 -1.90 121.20 123.83 3gh4 s ILE 85 Ca 0.49 0.44 0.01 0.00 0.00 0.00 0.00 60.65 61.58 3gh4 s ILE 85 Cb -0.10 -3.54 0.02 0.00 0.01 0.00 0.00 42.46 38.84 3gh4 s ILE 85 CO 0.31 0.52 -0.12 -0.47 0.00 0.00 0.00 174.94 175.18 3gh4 s TYR 86 N -0.40 1.73 -0.20 3.97 5.04 0.13 -0.09 117.35 127.54 3gh4 s TYR 86 Ca 0.16 -0.84 -0.02 0.00 -2.44 0.00 0.00 57.07 53.93 3gh4 s TYR 86 Cb -0.13 -1.32 0.00 0.00 0.35 0.00 0.00 41.96 40.86 3gh4 s TYR 86 CO 0.05 -0.49 -0.10 -0.51 -1.34 0.00 0.00 175.55 173.16 3gh4 s LEU 87 N 1.28 2.62 0.00 6.97 1.43 0.02 -0.64 118.68 130.36 3gh4 s LEU 87 Ca -0.02 -0.47 -0.05 0.00 -1.03 0.00 0.00 54.13 52.56 3gh4 s LEU 87 Cb -0.14 -1.64 -0.00 0.00 0.03 0.00 0.00 46.19 44.44 3gh4 s LEU 87 CO -0.05 0.01 0.10 0.28 0.23 0.00 0.00 176.35 176.92 3gh4 s THR 88 N 1.30 0.08 -1.19 5.49 -1.32 -0.21 -1.66 115.64 118.12 3gh4 s THR 88 Ca 0.04 -0.66 0.11 0.00 -1.21 0.00 0.00 61.69 59.97 3gh4 s THR 88 Cb -0.14 -0.37 0.22 0.00 -1.51 0.00 0.00 72.50 70.70 3gh4 s THR 88 CO -0.05 -0.36 1.10 0.35 -2.21 0.00 0.00 174.62 173.44 3gh4 n THR 89 N 1.65 0.57 -2.62 5.08 -2.24 -1.05 -1.02 114.28 114.66 3gh4 n THR 89 Ca -0.22 -0.78 -0.43 0.00 -2.27 0.00 0.00 64.05 60.35 3gh4 n THR 89 Cb 0.56 0.82 -0.02 0.00 -2.10 0.00 0.00 70.33 69.59 3gh4 n THR 89 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3gh4 s VAL 90 N -0.99 4.24 0.00 2.28 1.01 -1.26 -3.49 120.40 122.19 3gh4 s VAL 90 Ca 0.20 1.24 0.00 0.00 0.00 0.00 0.00 61.98 63.41 3gh4 s VAL 90 Cb 0.11 -4.58 0.00 0.00 0.00 0.00 0.00 36.38 31.91 3gh4 s VAL 90 CO 0.16 -0.96 0.00 0.61 0.00 0.00 0.00 175.10 174.91 3gh4 n GLY 91 N 4.78 0.63 3.51 4.51 0.00 -1.26 -4.96 105.19 112.39 3gh4 n GLY 91 Ca 0.12 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 45.04 3gh4 n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gh4 n GLY 92 N -2.60 -0.97 3.57 -0.02 0.00 -1.23 -4.89 105.19 99.05 3gh4 n GLY 92 Ca 0.00 0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3gh4 n GLY 92 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3gh4 s ASN 93 N -0.81 6.09 0.56 1.61 3.84 -1.26 -4.86 114.94 120.12 3gh4 s ASN 93 Ca 0.62 0.14 0.26 0.00 0.21 0.00 0.00 52.86 54.10 3gh4 s ASN 93 Cb -0.66 -2.55 1.52 0.00 -0.55 0.00 0.00 41.25 39.01 3gh4 s ASN 93 CO 0.58 -1.77 2.05 0.00 -2.79 0.00 0.00 177.10 175.18 3gh4 h ALA 94 N 11.06 2.07 0.00 1.71 0.00 -1.94 0.26 119.26 132.43 3gh4 h ALA 94 Ca -0.27 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3gh4 h ALA 94 Cb 1.09 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 3gh4 h ALA 94 CO 1.20 -0.42 -0.01 0.00 0.00 0.00 0.00 179.25 180.02 3gh4 h ALA 95 N 1.75 1.03 -0.00 0.00 0.00 -2.03 -1.82 119.26 118.19 3gh4 h ALA 95 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3gh4 h ALA 95 Cb 0.67 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3gh4 h ALA 95 CO -0.00 0.01 -0.07 1.28 0.00 0.00 0.00 179.25 180.47 3gh4 n LEU 96 N -3.14 0.14 0.00 0.00 4.77 0.08 -5.04 117.00 113.81 3gh4 n LEU 96 Ca -0.02 0.28 0.01 0.00 -0.03 0.00 0.00 56.01 56.26 3gh4 n LEU 96 Cb 0.17 -0.34 -0.00 0.00 -2.33 0.00 0.00 43.42 40.91 3gh4 n LEU 96 CO 0.23 0.03 -0.02 0.61 -1.33 0.00 0.00 177.39 176.91 3gh4 n GLY 97 N 1.38 -1.29 0.28 -0.72 0.00 -0.69 -1.91 105.19 102.25 3gh4 n GLY 97 Ca 0.11 -1.11 0.02 0.00 0.00 0.00 0.00 46.02 45.04 3gh4 n GLY 97 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3gh4 h ASN 98 N -0.09 0.41 -0.01 1.61 2.35 -1.96 -2.95 115.58 114.95 3gh4 h ASN 98 Ca 0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3gh4 h ASN 98 Cb 0.09 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.35 3gh4 h ASN 98 CO 0.00 0.42 -0.52 -0.62 -1.65 0.00 0.00 177.43 175.05 3gh4 n GLU 99 N -4.37 1.09 -2.36 0.81 1.02 -1.26 -2.17 120.64 113.40 3gh4 n GLU 99 Ca 0.02 -0.90 -0.26 0.00 -0.02 0.00 0.00 57.16 56.00 3gh4 n GLU 99 Cb 0.17 -1.48 0.05 0.00 -0.02 0.00 0.00 31.44 30.15 3gh4 n GLU 99 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3gh4 s GLY 100 N -2.53 1.66 0.03 0.62 0.00 -0.80 -4.48 107.32 101.82 3gh4 s GLY 100 Ca 0.18 -0.87 -0.27 0.00 0.00 0.00 0.00 44.72 43.76 3gh4 s GLY 100 CO 0.60 -0.53 0.83 -2.52 0.00 0.00 0.00 173.10 171.48 3gh4 s TYR 101 N -3.06 -0.38 -0.05 1.90 -0.85 -0.52 -4.15 117.35 110.24 3gh4 s TYR 101 Ca 0.57 0.22 0.02 0.00 -0.52 0.00 0.00 57.07 57.36 3gh4 s TYR 101 Cb -0.11 0.55 -0.03 0.00 0.38 0.00 0.00 41.96 42.75 3gh4 s TYR 101 CO 0.44 -0.62 -0.08 -0.51 -1.52 0.00 0.00 175.55 173.27 3gh4 s ASP 102 N -2.55 4.55 -0.22 -0.18 -0.00 0.26 -1.37 116.67 117.17 3gh4 s ASP 102 Ca 0.04 -0.07 -0.03 0.00 -0.00 0.00 0.00 52.55 52.49 3gh4 s ASP 102 Cb -0.01 -1.10 0.07 0.00 -0.00 0.00 0.00 42.92 41.88 3gh4 s ASP 102 CO -0.10 0.34 0.05 -0.22 -0.00 0.00 0.00 175.17 175.25 3gh4 s LEU 103 N -0.94 1.33 -0.15 1.23 2.96 -0.08 -0.57 118.68 122.46 3gh4 s LEU 103 Ca 0.13 -1.00 0.02 0.00 -0.22 0.00 0.00 54.13 53.06 3gh4 s LEU 103 Cb -0.11 -0.63 0.01 0.00 0.50 0.00 0.00 46.19 45.96 3gh4 s LEU 103 CO 0.03 -0.33 -0.20 -0.63 -1.32 0.00 0.00 176.35 173.90 3gh4 s ILE 104 N 1.83 2.21 -0.17 6.68 1.01 0.06 -1.25 121.20 131.57 3gh4 s ILE 104 Ca 0.02 -0.92 -0.02 0.00 0.00 0.00 0.00 60.65 59.73 3gh4 s ILE 104 Cb -0.17 -1.91 -0.01 0.00 0.01 0.00 0.00 42.46 40.38 3gh4 s ILE 104 CO -0.13 0.54 -0.08 -0.89 0.00 0.00 0.00 174.94 174.38 3gh4 s THR 105 N 0.94 3.33 0.49 2.92 2.01 -0.39 -0.62 115.64 124.31 3gh4 s THR 105 Ca -0.04 -0.54 0.03 0.00 0.31 0.00 0.00 61.69 61.45 3gh4 s THR 105 Cb -0.15 -2.45 -0.03 0.00 0.01 0.00 0.00 72.50 69.88 3gh4 s THR 105 CO -0.04 0.48 0.01 0.42 -0.69 0.00 0.00 174.62 174.80 3gh4 s THR 106 N 0.77 1.36 0.33 -0.82 -4.23 0.11 -1.70 115.64 111.47 3gh4 s THR 106 Ca -0.03 -1.99 0.05 0.00 -1.18 0.00 0.00 61.69 58.54 3gh4 s THR 106 Cb -0.15 -2.35 0.30 0.00 1.34 0.00 0.00 72.50 71.64 3gh4 s THR 106 CO 0.02 0.00 1.90 0.28 -0.54 0.00 0.00 174.62 176.28 3gh4 h SER 107 N 1.44 0.76 0.27 3.99 0.02 -1.93 -3.05 113.55 115.05 3gh4 h SER 107 Ca -0.44 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 3gh4 h SER 107 Cb 1.30 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.70 3gh4 h SER 107 CO 0.75 0.45 -1.21 0.59 -1.14 0.00 0.00 176.83 176.28 3gh4 n ASN 108 N -4.52 0.57 -3.62 3.07 5.03 -1.26 -4.39 115.26 110.15 3gh4 n ASN 108 Ca 0.15 -0.31 -0.15 0.00 0.87 0.00 0.00 54.58 55.13 3gh4 n ASN 108 Cb 0.31 1.06 -0.07 0.00 -1.02 0.00 0.00 39.78 40.06 3gh4 n ASN 108 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 3gh4 s GLN 109 N -3.22 0.85 -0.24 3.52 0.74 -1.15 0.78 119.66 120.93 3gh4 s GLN 109 Ca 0.02 0.73 -0.09 0.00 0.05 0.00 0.00 55.36 56.07 3gh4 s GLN 109 Cb 0.15 0.41 -0.04 0.00 1.10 0.00 0.00 33.01 34.62 3gh4 s GLN 109 CO 0.84 -0.15 0.12 0.08 -0.55 0.00 0.00 175.29 175.62 3gh4 s VAL 110 N -0.08 4.96 -0.17 1.34 1.01 -0.80 -0.71 120.40 125.95 3gh4 s VAL 110 Ca -0.03 0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.99 3gh4 s VAL 110 Cb -0.04 -3.31 0.03 0.00 0.00 0.00 0.00 36.38 33.07 3gh4 s VAL 110 CO 0.03 0.34 -0.11 -0.89 0.00 0.00 0.00 175.10 174.47 3gh4 s THR 111 N 1.23 1.52 -0.27 3.92 2.01 0.21 0.18 115.64 124.44 3gh4 s THR 111 Ca 0.06 -0.77 -0.06 0.00 0.31 0.00 0.00 61.69 61.22 3gh4 s THR 111 Cb -0.14 -1.53 -0.00 0.00 0.01 0.00 0.00 72.50 70.83 3gh4 s THR 111 CO 0.05 0.30 0.06 -0.22 -0.69 0.00 0.00 174.62 174.12 3gh4 s LEU 112 N 1.48 3.61 -0.20 4.42 0.20 0.19 -0.76 118.68 127.61 3gh4 s LEU 112 Ca 0.02 -0.54 -0.01 0.00 0.69 0.00 0.00 54.13 54.28 3gh4 s LEU 112 Cb -0.14 -1.87 0.01 0.00 -0.43 0.00 0.00 46.19 43.75 3gh4 s LEU 112 CO -0.09 -0.13 -0.12 -0.89 -0.29 0.00 0.00 176.35 174.83 3gh4 s THR 113 N 1.52 2.73 0.29 3.68 2.01 0.27 -1.05 115.64 125.09 3gh4 s THR 113 Ca 0.04 -0.71 0.03 0.00 0.31 0.00 0.00 61.69 61.35 3gh4 s THR 113 Cb -0.16 -2.20 -0.06 0.00 0.01 0.00 0.00 72.50 70.09 3gh4 s THR 113 CO 0.02 0.48 0.06 0.00 -0.69 0.00 0.00 174.62 174.50 3gh4 s ALA 114 N 1.37 2.04 0.08 7.40 0.00 -0.19 -0.57 121.76 131.88 3gh4 s ALA 114 Ca 0.05 -1.95 -0.01 0.00 0.00 0.00 0.00 51.96 50.05 3gh4 s ALA 114 Cb -0.14 0.79 -0.26 0.00 0.00 0.00 0.00 23.12 23.51 3gh4 s ALA 114 CO -0.08 -0.36 1.14 -0.91 0.00 0.00 0.00 175.76 175.55 3gh4 h ASN 115 N 2.27 0.31 -5.13 0.00 2.35 -1.80 -3.31 115.58 110.27 3gh4 h ASN 115 Ca -0.39 -0.34 -0.14 0.00 -0.55 0.00 0.00 56.30 54.88 3gh4 h ASN 115 Cb 1.24 -0.10 -0.17 0.00 0.05 0.00 0.00 38.32 39.34 3gh4 h ASN 115 CO 0.66 1.27 -0.67 -0.54 -1.65 0.00 0.00 177.43 176.50 3gh4 s LYS 116 N -2.66 0.50 0.30 0.81 -0.14 -1.26 -4.92 119.74 112.36 3gh4 s LYS 116 Ca -0.03 -0.95 0.05 0.00 -1.36 0.00 0.00 55.97 53.68 3gh4 s LYS 116 Cb 0.08 0.18 0.80 0.00 -1.68 0.00 0.00 37.83 37.21 3gh4 s LYS 116 CO 0.86 -0.09 1.67 -1.35 -0.76 0.00 0.00 175.35 175.68 3gh4 h PRO 117 N 3.74 0.29 -0.77 -1.68 0.11 -1.92 -1.26 132.00 130.51 3gh4 h PRO 117 Ca -0.33 -0.02 0.14 0.00 0.11 0.00 0.00 66.00 65.90 3gh4 h PRO 117 Cb 1.17 -0.07 -0.09 0.00 0.11 0.00 0.00 31.00 32.12 3gh4 h PRO 117 CO 0.55 0.19 0.33 1.49 -0.21 0.00 0.00 178.00 180.36 3gh4 h GLU 118 N 0.30 0.48 -0.12 1.05 4.81 -1.97 -0.54 114.58 118.58 3gh4 h GLU 118 Ca 0.60 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.69 3gh4 h GLU 118 Cb 1.22 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 3gh4 h GLU 118 CO -0.60 0.32 -0.38 0.78 -0.73 0.00 0.00 179.01 178.39 3gh4 h GLY 119 N 0.49 0.29 0.92 1.92 0.00 -0.73 -0.80 103.07 105.17 3gh4 h GLY 119 Ca 0.42 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.46 3gh4 h GLY 119 CO -0.38 0.24 0.12 -2.08 0.00 0.00 0.00 176.54 174.44 3gh4 h VAL 120 N 0.22 1.19 -0.15 4.60 2.07 -0.88 -0.15 116.25 123.16 3gh4 h VAL 120 Ca 0.02 -0.60 0.03 0.00 0.82 0.00 0.00 66.70 66.97 3gh4 h VAL 120 Cb 0.78 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 3gh4 h VAL 120 CO 0.06 0.21 -0.01 0.15 0.02 0.00 0.00 177.57 178.00 3gh4 h PHE 121 N 0.39 -0.03 -0.57 1.57 3.57 -0.70 0.03 116.94 121.19 3gh4 h PHE 121 Ca 0.11 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.63 3gh4 h PHE 121 Cb 0.21 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 3gh4 h PHE 121 CO 0.00 -0.04 0.37 0.00 -2.23 0.00 0.00 178.31 176.41 3gh4 h ARG 122 N 0.03 0.73 -0.58 1.11 2.47 -1.06 -2.36 114.38 114.73 3gh4 h ARG 122 Ca 0.07 -0.04 0.01 0.00 -1.26 0.00 0.00 59.98 58.76 3gh4 h ARG 122 Cb 0.09 -0.16 -0.03 0.00 -1.65 0.00 0.00 29.97 28.22 3gh4 h ARG 122 CO -0.13 0.48 0.39 0.78 0.56 0.00 0.00 179.97 182.05 3gh4 h GLY 123 N 0.75 0.81 2.00 0.04 0.00 -0.71 -1.42 103.07 104.54 3gh4 h GLY 123 Ca 0.22 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 3gh4 h GLY 123 CO -0.06 0.29 -0.03 3.43 0.00 0.00 0.00 176.54 180.17 3gh4 h ASN 124 N 0.77 0.00 -0.18 0.19 -0.26 -0.44 -0.80 115.58 114.86 3gh4 h ASN 124 Ca 0.22 0.00 -0.10 0.00 -0.56 0.00 0.00 56.30 55.85 3gh4 h ASN 124 Cb -0.07 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.18 3gh4 h ASN 124 CO -0.05 0.03 -0.22 1.56 -1.06 0.00 0.00 177.43 177.69 3gh4 h GLN 125 N 0.00 0.62 -0.24 0.81 1.08 -1.14 -1.89 115.11 114.35 3gh4 h GLN 125 Ca -0.00 -0.24 -0.09 0.00 -1.45 0.00 0.00 58.65 56.88 3gh4 h GLN 125 Cb 0.06 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.45 3gh4 h GLN 125 CO 0.00 0.80 -0.18 1.15 -0.95 0.00 0.00 178.83 179.65 3gh4 h THR 126 N 0.55 1.31 -0.82 -0.54 2.02 -1.31 -3.17 112.91 110.96 3gh4 h THR 126 Ca 0.08 -1.32 0.11 0.00 0.77 0.00 0.00 66.41 66.05 3gh4 h THR 126 Cb 0.68 1.65 -0.08 0.00 -1.74 0.00 0.00 68.15 68.65 3gh4 h THR 126 CO 0.05 0.41 0.45 0.25 0.37 0.00 0.00 175.52 177.05 3gh4 h LEU 127 N 0.25 0.61 -1.68 2.58 5.85 -0.93 0.28 115.31 122.27 3gh4 h LEU 127 Ca 0.04 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 3gh4 h LEU 127 Cb 0.72 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 3gh4 h LEU 127 CO 0.05 0.32 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.23 3gh4 h LEU 128 N 0.72 0.00 0.00 2.25 -0.00 -1.38 -1.90 115.31 115.00 3gh4 h LEU 128 Ca 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.30 3gh4 h LEU 128 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.12 3gh4 h LEU 128 CO -0.29 0.17 -0.24 0.00 -0.00 0.00 0.00 178.44 178.08 3gh4 n GLN 129 N -4.27 0.13 0.04 1.13 6.02 -0.00 -3.53 117.38 116.90 3gh4 n GLN 129 Ca -0.02 0.08 -0.07 0.00 -0.01 0.00 0.00 57.00 56.97 3gh4 n GLN 129 Cb 0.24 -1.62 -0.12 0.00 1.02 0.00 0.00 30.24 29.76 3gh4 n GLN 129 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3gh4 h LEU 130 N 0.00 0.00-10.33 1.08 3.38 -0.48 -0.04 115.31 108.92 3gh4 h LEU 130 Ca 0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 3gh4 h LEU 130 Cb 0.62 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.48 3gh4 h LEU 130 CO 0.00 0.97 0.34 -0.76 0.09 0.00 0.00 178.44 179.08 3gh4 s LEU 131 N -6.51 3.00 0.56 1.67 1.43 -1.12 -4.41 118.68 113.29 3gh4 s LEU 131 Ca -0.01 1.69 -0.21 0.00 -1.03 0.00 0.00 54.13 54.58 3gh4 s LEU 131 Cb 0.09 -4.44 -0.04 0.00 0.03 0.00 0.00 46.19 41.83 3gh4 s LEU 131 CO 0.82 -1.84 1.31 -2.84 0.23 0.00 0.00 176.35 174.03 3gh4 s PRO 132 N -4.98 3.07 0.20 1.29 0.02 -1.26 -4.81 135.00 128.54 3gh4 s PRO 132 Ca 0.60 2.12 -0.31 0.00 0.02 0.00 0.00 61.00 63.43 3gh4 s PRO 132 Cb -0.16 -2.16 -0.15 0.00 0.02 0.00 0.00 34.50 32.05 3gh4 s PRO 132 CO 0.56 -1.21 1.14 0.00 -0.33 0.00 0.00 177.00 177.15 3gh4 n ALA 133 N -1.20 -0.55 0.00 -1.55 0.00 -1.26 -1.38 120.51 114.57 3gh4 n ALA 133 Ca 0.11 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.00 3gh4 n ALA 133 Cb 0.46 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.88 3gh4 n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gh4 n GLY 134 N 1.85 2.45 0.29 0.00 0.00 -1.26 -4.93 105.19 103.59 3gh4 n GLY 134 Ca 0.14 -0.84 0.14 0.00 0.00 0.00 0.00 46.02 45.46 3gh4 n GLY 134 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3gh4 h ILE 135 N 0.00 0.57 -0.44 -0.61 6.09 -1.57 -1.72 117.51 119.83 3gh4 h ILE 135 Ca 0.00 -0.02 0.00 0.00 -1.37 0.00 0.00 64.86 63.47 3gh4 h ILE 135 Cb 0.00 1.01 0.00 0.00 0.47 0.00 0.00 36.82 38.30 3gh4 h ILE 135 CO 0.00 0.00 0.00 -1.84 -3.07 0.00 0.00 178.15 173.24 3gh4 n GLU 136 N -3.90 2.08 -2.22 2.19 0.00 -1.26 -4.56 120.64 112.97 3gh4 n GLU 136 Ca -0.03 -1.67 -0.37 0.00 0.00 0.00 0.00 57.16 55.09 3gh4 n GLU 136 Cb 0.09 -1.38 -0.00 0.00 0.00 0.00 0.00 31.44 30.15 3gh4 n GLU 136 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 3gh4 s LYS 137 N -1.41 3.67 0.00 3.44 2.47 -0.65 -4.04 119.74 123.22 3gh4 s LYS 137 Ca 0.32 1.79 0.27 0.00 -1.56 0.00 0.00 55.97 56.80 3gh4 s LYS 137 Cb 0.17 -2.36 0.92 0.00 -1.46 0.00 0.00 37.83 35.10 3gh4 s LYS 137 CO 0.22 -0.63 1.67 0.09 0.16 0.00 0.00 175.35 176.86 3gh4 n ASN 138 N -0.60 1.33 -4.34 1.43 5.03 -1.26 -3.78 115.26 113.07 3gh4 n ASN 138 Ca 0.08 -1.26 -0.18 0.00 0.87 0.00 0.00 54.58 54.09 3gh4 n ASN 138 Cb 0.48 0.05 -0.10 0.00 -1.02 0.00 0.00 39.78 39.19 3gh4 n ASN 138 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 3gh4 s THR 139 N -2.20 1.45 0.16 3.41 -4.23 -1.25 -4.77 115.64 108.21 3gh4 s THR 139 Ca 0.32 -2.12 -0.31 0.00 -1.18 0.00 0.00 61.69 58.39 3gh4 s THR 139 Cb 0.20 -2.14 -0.10 0.00 1.34 0.00 0.00 72.50 71.80 3gh4 s THR 139 CO 0.41 -0.52 1.66 -0.69 -0.54 0.00 0.00 174.62 174.93 3gh4 s VAL 140 N -3.15 2.52 -0.20 2.29 1.01 -0.99 -4.26 120.40 117.62 3gh4 s VAL 140 Ca 0.24 0.29 -0.07 0.00 0.00 0.00 0.00 61.98 62.43 3gh4 s VAL 140 Cb 0.02 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 3gh4 s VAL 140 CO 0.07 0.02 0.06 -0.69 0.00 0.00 0.00 175.10 174.55 3gh4 s VAL 141 N 1.60 4.60 0.24 2.92 1.01 0.94 -5.02 120.40 126.70 3gh4 s VAL 141 Ca 0.73 -0.09 0.06 0.00 0.00 0.00 0.00 61.98 62.68 3gh4 s VAL 141 Cb -0.45 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 3gh4 s VAL 141 CO 0.32 0.43 0.24 -0.94 0.00 0.00 0.00 175.10 175.15 3gh4 s SER 142 N 0.71 5.76 -0.08 3.32 1.04 -1.26 -4.66 113.70 118.53 3gh4 s SER 142 Ca 0.03 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.31 3gh4 s SER 142 Cb -0.13 -1.54 0.00 0.00 0.10 0.00 0.00 66.02 64.45 3gh4 s SER 142 CO 0.02 -0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.81 3gh4 n GLY 143 N -1.22 0.47 3.13 7.32 0.00 -1.26 -5.01 105.19 108.63 3gh4 n GLY 143 Ca -0.08 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 3gh4 n GLY 143 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gh4 s VAL 144 N -1.91 1.99 -0.00 1.61 1.01 -1.26 -5.10 120.40 116.74 3gh4 s VAL 144 Ca 0.00 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 60.76 3gh4 s VAL 144 Cb 0.00 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 3gh4 s VAL 144 CO 0.00 0.53 1.07 -1.58 0.00 0.00 0.00 175.10 175.13 3gh4 s GLN 145 N 1.05 4.48 -1.15 2.72 0.74 -1.26 -4.94 119.66 121.30 3gh4 s GLN 145 Ca -0.02 1.55 -0.17 0.00 0.05 0.00 0.00 55.36 56.78 3gh4 s GLN 145 Cb -0.14 -3.45 0.13 0.00 1.10 0.00 0.00 33.01 30.64 3gh4 s GLN 145 CO -0.07 -0.20 1.43 -1.58 -0.55 0.00 0.00 175.29 174.33 3gh4 s TRP 146 N 1.32 3.17 0.18 1.67 0.52 -1.26 -4.80 118.94 119.73 3gh4 s TRP 146 Ca 0.54 -1.74 0.08 0.00 0.02 0.00 0.00 56.10 55.01 3gh4 s TRP 146 Cb -0.23 -4.44 -0.04 0.00 -1.15 0.00 0.00 33.47 27.61 3gh4 s TRP 146 CO 0.26 -1.56 -0.07 0.14 0.02 0.00 0.00 176.95 175.75 3gh4 s VAL 147 N 2.71 3.34 -0.05 4.03 -7.23 -1.26 0.20 120.40 122.15 3gh4 s VAL 147 Ca 0.43 -1.59 0.02 0.00 -1.81 0.00 0.00 61.98 59.03 3gh4 s VAL 147 Cb -0.02 -2.66 0.02 0.00 0.56 0.00 0.00 36.38 34.28 3gh4 s VAL 147 CO -0.01 -0.11 -0.07 -0.63 -0.31 0.00 0.00 175.10 173.97 3gh4 s ILE 148 N -1.71 0.72 0.49 -0.62 1.01 0.18 -4.00 121.20 117.26 3gh4 s ILE 148 Ca 0.26 -0.25 -0.22 0.00 0.00 0.00 0.00 60.65 60.44 3gh4 s ILE 148 Cb -0.09 -0.69 -0.07 0.00 0.01 0.00 0.00 42.46 41.62 3gh4 s ILE 148 CO 0.16 0.26 1.15 -2.16 0.00 0.00 0.00 174.94 174.35 3gh4 s PRO 149 N 0.71 3.63 -0.11 2.79 0.04 -1.26 -0.21 135.00 140.60 3gh4 s PRO 149 Ca -0.11 1.71 -0.37 0.00 0.04 0.00 0.00 61.00 62.28 3gh4 s PRO 149 Cb -0.14 -2.28 -0.14 0.00 0.04 0.00 0.00 34.50 31.99 3gh4 s PRO 149 CO 0.01 -0.64 1.73 1.58 0.04 0.00 0.00 177.00 179.72 3gh4 n HIS 150 N -0.75 2.13 -3.52 0.56 -0.00 -0.45 -4.77 115.22 108.42 3gh4 n HIS 150 Ca 0.09 0.30 -0.11 0.00 -0.00 0.00 0.00 57.72 58.00 3gh4 n HIS 150 Cb 0.49 -2.54 -0.03 0.00 -0.00 0.00 0.00 29.99 27.92 3gh4 n HIS 150 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 3gh4 s SER 151 N 3.09 -0.44 -0.08 0.26 1.04 -0.69 -0.55 113.70 116.33 3gh4 s SER 151 Ca 0.92 -0.15 -0.01 0.00 0.48 0.00 0.00 55.95 57.19 3gh4 s SER 151 Cb -0.86 0.57 0.03 0.00 0.10 0.00 0.00 66.02 65.85 3gh4 s SER 151 CO 0.55 -0.96 -0.01 0.21 0.98 0.00 0.00 173.24 174.01 3gh4 s ASN 152 N -2.78 1.68 -0.05 7.02 3.04 0.13 -1.27 114.94 122.72 3gh4 s ASN 152 Ca 0.03 -0.12 0.05 0.00 0.04 0.00 0.00 52.86 52.85 3gh4 s ASN 152 Cb -0.00 -0.49 -0.01 0.00 -1.54 0.00 0.00 41.25 39.21 3gh4 s ASN 152 CO -0.11 -0.19 -0.21 -0.63 -3.04 0.00 0.00 177.10 172.92 3gh4 s ILE 153 N 1.94 1.74 0.06 -5.21 1.01 -0.38 -1.25 121.20 119.11 3gh4 s ILE 153 Ca 0.05 -0.90 0.08 0.00 0.00 0.00 0.00 60.65 59.89 3gh4 s ILE 153 Cb -0.12 -1.47 -0.03 0.00 0.01 0.00 0.00 42.46 40.84 3gh4 s ILE 153 CO -0.06 0.49 -0.23 -0.94 0.00 0.00 0.00 174.94 174.20 3gh4 s SER 154 N -0.13 2.76 -0.02 3.58 1.04 -1.01 -0.90 113.70 119.02 3gh4 s SER 154 Ca -0.02 -0.59 -0.28 0.00 0.48 0.00 0.00 55.95 55.54 3gh4 s SER 154 Cb -0.12 -0.22 0.06 0.00 0.10 0.00 0.00 66.02 65.85 3gh4 s SER 154 CO 0.02 0.17 0.62 -0.62 0.98 0.00 0.00 173.24 174.41 3gh4 s ASP 155 N -1.42 -0.58 -0.08 7.02 2.15 -0.47 -1.66 116.67 121.64 3gh4 s ASP 155 Ca 0.09 0.54 -0.30 0.00 0.43 0.00 0.00 52.55 53.32 3gh4 s ASP 155 Cb -0.09 0.51 0.11 0.00 -0.30 0.00 0.00 42.92 43.15 3gh4 s ASP 155 CO 0.03 -0.63 0.91 -1.59 -0.17 0.00 0.00 175.17 173.72 3gh4 s LYS 156 N -1.52 0.75 0.42 4.34 -2.85 -1.26 -1.44 119.74 118.18 3gh4 s LYS 156 Ca -0.10 -0.06 -0.17 0.00 -1.00 0.00 0.00 55.97 54.65 3gh4 s LYS 156 Cb -0.01 0.35 -0.09 0.00 -2.06 0.00 0.00 37.83 36.02 3gh4 s LYS 156 CO 0.07 -0.28 0.87 -1.25 0.10 0.00 0.00 175.35 174.86 3gh4 s PRO 157 N -2.08 4.05 0.00 1.78 0.04 -1.26 -4.77 135.00 132.76 3gh4 s PRO 157 Ca 0.01 0.87 -0.20 0.00 0.04 0.00 0.00 61.00 61.72 3gh4 s PRO 157 Cb -0.01 -2.27 -0.24 0.00 0.04 0.00 0.00 34.50 32.02 3gh4 s PRO 157 CO -0.03 -0.03 1.08 1.49 0.04 0.00 0.00 177.00 179.55 3gh4 h GLU 158 N 1.70 0.40 -6.43 4.56 4.57 -0.81 -3.46 114.58 115.11 3gh4 h GLU 158 Ca -0.48 -0.45 -0.68 0.00 -1.18 0.00 0.00 59.36 56.57 3gh4 h GLU 158 Cb 1.18 0.13 -0.20 0.00 -0.16 0.00 0.00 28.75 29.70 3gh4 h GLU 158 CO 0.63 1.12 -0.76 0.71 -1.18 0.00 0.00 179.01 179.52 3gh4 s TYR 159 N -3.14 2.70 0.20 0.92 2.02 -0.90 -5.04 117.35 114.11 3gh4 s TYR 159 Ca -0.13 -0.16 0.03 0.00 -0.37 0.00 0.00 57.07 56.43 3gh4 s TYR 159 Cb 0.03 -1.54 0.14 0.00 -0.40 0.00 0.00 41.96 40.19 3gh4 s TYR 159 CO 0.82 0.29 1.48 1.49 -1.57 0.00 0.00 175.55 178.06 3gh4 h GLU 160 N 4.65 0.26 -4.85 -0.62 4.81 -1.86 -3.43 114.58 113.54 3gh4 h GLU 160 Ca -0.48 -0.21 -0.67 0.00 -0.13 0.00 0.00 59.36 57.87 3gh4 h GLU 160 Cb 1.16 0.04 -0.26 0.00 0.63 0.00 0.00 28.75 30.32 3gh4 h GLU 160 CO 0.50 0.86 -0.64 -0.47 -0.73 0.00 0.00 179.01 178.54 3gh4 s TYR 161 N -3.57 3.11 -0.36 0.92 6.14 -0.61 -4.98 117.35 118.00 3gh4 s TYR 161 Ca -0.04 -0.91 0.00 0.00 0.64 0.00 0.00 57.07 56.76 3gh4 s TYR 161 Cb 0.11 -2.23 0.12 0.00 0.42 0.00 0.00 41.96 40.39 3gh4 s TYR 161 CO 0.81 -0.54 0.18 1.03 0.64 0.00 0.00 175.55 177.67 3gh4 s ARG 162 N 1.51 0.79 0.33 4.97 0.52 -1.25 -1.05 118.95 124.76 3gh4 s ARG 162 Ca 0.03 -1.40 0.09 0.00 -0.52 0.00 0.00 55.73 53.94 3gh4 s ARG 162 Cb -0.16 -1.78 -0.06 0.00 0.52 0.00 0.00 34.95 33.47 3gh4 s ARG 162 CO 0.02 -1.12 -0.03 0.20 0.02 0.00 0.00 175.30 174.38 3gh4 s GLY 163 N 1.08 2.06 -0.06 -3.53 0.00 -0.02 -1.11 107.32 105.75 3gh4 s GLY 163 Ca 0.15 -1.97 0.02 0.00 0.00 0.00 0.00 44.72 42.92 3gh4 s GLY 163 CO -0.10 -1.93 -0.12 -2.27 0.00 0.00 0.00 173.10 168.69 3gh4 s LEU 164 N -3.67 1.67 -0.17 0.66 2.96 -0.35 -1.08 118.68 118.70 3gh4 s LEU 164 Ca 0.34 -0.28 -0.07 0.00 -0.22 0.00 0.00 54.13 53.90 3gh4 s LEU 164 Cb -0.00 -0.78 -0.04 0.00 0.50 0.00 0.00 46.19 45.87 3gh4 s LEU 164 CO 0.18 0.05 0.07 -0.32 -1.32 0.00 0.00 176.35 175.01 3gh4 s MET 165 N 0.55 3.86 -0.17 1.98 -2.45 0.44 -0.40 119.30 123.10 3gh4 s MET 165 Ca -0.12 -0.32 -0.02 0.00 -1.25 0.00 0.00 55.69 53.98 3gh4 s MET 165 Cb -0.14 -3.19 -0.01 0.00 1.25 0.00 0.00 34.83 32.73 3gh4 s MET 165 CO 0.03 0.36 -0.08 -1.17 1.05 0.00 0.00 175.02 175.21 3gh4 s LEU 166 N 0.12 2.84 -0.50 4.11 2.96 -0.66 -0.75 118.68 126.79 3gh4 s LEU 166 Ca 0.05 -0.34 -0.29 0.00 -0.22 0.00 0.00 54.13 53.33 3gh4 s LEU 166 Cb -0.12 -1.68 0.03 0.00 0.50 0.00 0.00 46.19 44.92 3gh4 s LEU 166 CO 0.00 0.08 1.15 -0.62 -1.32 0.00 0.00 176.35 175.64 3gh4 s ASP 167 N 0.88 6.58 0.00 3.68 2.15 -0.58 -1.74 116.67 127.64 3gh4 s ASP 167 Ca -0.02 0.36 0.17 0.00 0.43 0.00 0.00 52.55 53.49 3gh4 s ASP 167 Cb -0.15 -2.55 0.29 0.00 -0.30 0.00 0.00 42.92 40.22 3gh4 s ASP 167 CO 0.01 -1.31 1.20 1.33 -0.17 0.00 0.00 175.17 176.23 3gh4 n VAL 168 N 6.80 0.47 -0.00 1.11 0.24 -1.00 -4.48 118.33 121.47 3gh4 n VAL 168 Ca 0.11 -0.74 -0.21 0.00 -2.04 0.00 0.00 64.34 61.46 3gh4 n VAL 168 Cb 0.49 0.95 -0.14 0.00 -1.47 0.00 0.00 33.84 33.67 3gh4 n VAL 168 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gh4 h ALA 169 N 3.22 0.18 -0.26 2.33 0.00 -1.84 -3.30 119.26 119.58 3gh4 h ALA 169 Ca 0.00 -1.08 -0.05 0.00 0.00 0.00 0.00 54.91 53.78 3gh4 h ALA 169 Cb 0.78 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3gh4 h ALA 169 CO 0.00 0.79 -0.04 0.00 0.00 0.00 0.00 179.25 180.00 3gh4 h ARG 170 N -0.38 0.49 -4.37 0.00 -0.00 -1.87 -3.34 114.38 104.92 3gh4 h ARG 170 Ca -0.30 -0.18 -0.33 0.00 -0.50 0.00 0.00 59.98 58.68 3gh4 h ARG 170 Cb 1.70 -0.03 -0.28 0.00 0.00 0.00 0.00 29.97 31.36 3gh4 h ARG 170 CO 0.04 0.69 -0.75 -1.01 0.00 0.00 0.00 179.97 178.93 3gh4 s HIS 171 N -4.84 0.51 0.19 3.04 3.76 -1.26 -0.37 115.29 116.32 3gh4 s HIS 171 Ca -0.13 -0.12 -0.23 0.00 -0.15 0.00 0.00 55.06 54.42 3gh4 s HIS 171 Cb 0.08 -0.33 -0.08 0.00 1.11 0.00 0.00 32.58 33.36 3gh4 s HIS 171 CO 0.76 -0.01 0.75 0.12 -0.85 0.00 0.00 174.74 175.51 3gh4 s PHE 172 N -0.22 3.81 -0.02 1.40 5.36 -1.24 -4.24 117.98 122.83 3gh4 s PHE 172 Ca 0.01 1.54 0.06 0.00 -0.96 0.00 0.00 56.93 57.59 3gh4 s PHE 172 Cb -0.03 -2.71 -0.02 0.00 -0.34 0.00 0.00 43.02 39.93 3gh4 s PHE 172 CO -0.00 0.45 -0.21 -0.06 -1.46 0.00 0.00 175.22 173.94 3gh4 s PHE 173 N -1.29 1.85 0.90 10.12 0.40 -1.26 -5.02 117.98 123.67 3gh4 s PHE 173 Ca 0.38 -0.36 -0.11 0.00 -0.60 0.00 0.00 56.93 56.25 3gh4 s PHE 173 Cb -0.21 -1.19 0.13 0.00 0.51 0.00 0.00 43.02 42.26 3gh4 s PHE 173 CO 0.24 -0.04 1.10 0.95 0.70 0.00 0.00 175.22 178.17 3gh4 s THR 174 N -0.47 2.62 0.25 0.64 -4.23 -1.26 -4.74 115.64 108.45 3gh4 s THR 174 Ca 0.08 0.20 -0.04 0.00 -1.18 0.00 0.00 61.69 60.75 3gh4 s THR 174 Cb -0.08 -2.52 0.22 0.00 1.34 0.00 0.00 72.50 71.46 3gh4 s THR 174 CO -0.01 -0.26 1.76 0.58 -0.54 0.00 0.00 174.62 176.15 3gh4 h VAL 175 N -1.64 0.75 -0.77 2.29 2.07 -1.98 -0.32 116.25 116.65 3gh4 h VAL 175 Ca -0.47 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 66.80 3gh4 h VAL 175 Cb 1.27 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 3gh4 h VAL 175 CO 0.50 0.11 0.30 0.44 0.02 0.00 0.00 177.57 178.93 3gh4 h ASP 176 N 0.58 1.06 -0.59 0.57 3.32 -1.99 0.47 116.42 119.83 3gh4 h ASP 176 Ca 0.41 -0.18 -0.10 0.00 0.02 0.00 0.00 57.03 57.19 3gh4 h ASP 176 Cb 0.55 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 3gh4 h ASP 176 CO -0.34 0.95 -0.01 -0.33 -1.72 0.00 0.00 179.24 177.79 3gh4 h GLU 177 N 1.11 1.06 -0.19 3.56 5.08 -1.68 -0.96 114.58 122.57 3gh4 h GLU 177 Ca 0.25 -0.34 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 3gh4 h GLU 177 Cb 0.22 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 3gh4 h GLU 177 CO -0.02 1.04 -0.13 0.28 -1.00 0.00 0.00 179.01 179.18 3gh4 h VAL 178 N 0.97 1.32 -0.73 3.13 2.07 -0.84 -2.14 116.25 120.04 3gh4 h VAL 178 Ca 0.17 -1.23 0.09 0.00 0.82 0.00 0.00 66.70 66.54 3gh4 h VAL 178 Cb 0.57 1.73 -0.07 0.00 -1.52 0.00 0.00 31.29 32.00 3gh4 h VAL 178 CO 0.03 0.37 0.39 0.11 0.02 0.00 0.00 177.57 178.49 3gh4 h LYS 179 N 0.09 0.65 -0.51 1.57 1.57 -0.82 -1.31 116.57 117.80 3gh4 h LYS 179 Ca 0.04 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gh4 h LYS 179 Cb 0.64 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 3gh4 h LYS 179 CO 0.03 0.43 0.32 -0.09 -0.57 0.00 0.00 179.45 179.57 3gh4 h ARG 180 N 0.66 0.68 -0.57 3.15 2.43 -1.01 0.21 114.38 119.92 3gh4 h ARG 180 Ca 0.35 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.38 3gh4 h ARG 180 Cb 0.32 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 3gh4 h ARG 180 CO -0.24 0.48 0.00 1.96 -1.51 0.00 0.00 179.97 180.65 3gh4 h GLN 181 N 0.68 0.99 -0.12 0.20 1.08 -0.92 0.39 115.11 117.41 3gh4 h GLN 181 Ca 0.18 -0.30 0.00 0.00 -1.45 0.00 0.00 58.65 57.08 3gh4 h GLN 181 Cb -0.04 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.29 3gh4 h GLN 181 CO -0.04 0.97 0.08 0.82 -0.95 0.00 0.00 178.83 179.71 3gh4 h ILE 182 N 0.91 1.04 -0.09 2.54 2.04 -0.97 -1.08 117.51 121.91 3gh4 h ILE 182 Ca 0.17 -0.09 0.03 0.00 1.00 0.00 0.00 64.86 65.96 3gh4 h ILE 182 Cb 0.53 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 3gh4 h ILE 182 CO 0.03 0.04 -0.07 -0.78 0.00 0.00 0.00 178.15 177.37 3gh4 h ASP 183 N 0.15 -0.21 -0.08 1.72 3.58 -0.16 -1.00 116.42 120.42 3gh4 h ASP 183 Ca 0.04 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.54 3gh4 h ASP 183 Cb -0.00 0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.15 3gh4 h ASP 183 CO -0.01 -0.09 0.05 -0.07 -2.88 0.00 0.00 179.24 176.24 3gh4 h LEU 184 N -0.07 0.08 -1.05 2.28 3.38 -0.86 -2.53 115.31 116.54 3gh4 h LEU 184 Ca 0.06 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.09 3gh4 h LEU 184 Cb 0.16 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 3gh4 h LEU 184 CO -0.14 0.06 0.64 0.00 0.09 0.00 0.00 178.44 179.09 3gh4 h ALA 185 N 1.03 1.41 -0.15 1.53 0.00 -1.06 -2.23 119.26 119.79 3gh4 h ALA 185 Ca 0.03 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3gh4 h ALA 185 Cb -0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3gh4 h ALA 185 CO -0.01 0.46 0.10 0.66 0.00 0.00 0.00 179.25 180.46 3gh4 h SER 186 N 1.17 0.07 0.71 0.00 4.64 -0.74 -0.93 113.55 118.47 3gh4 h SER 186 Ca 0.41 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 3gh4 h SER 186 Cb 0.12 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3gh4 h SER 186 CO -0.15 0.05 0.00 0.00 -0.87 0.00 0.00 176.83 175.85 3gh4 n GLN 187 N -4.51 0.15 -0.40 4.77 6.02 -0.84 -1.81 117.38 120.77 3gh4 n GLN 187 Ca 0.00 0.37 0.09 0.00 -0.01 0.00 0.00 57.00 57.45 3gh4 n GLN 187 Cb 0.17 -1.78 0.24 0.00 1.02 0.00 0.00 30.24 29.90 3gh4 n GLN 187 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3gh4 n TYR 188 N -2.07 0.82 -1.27 1.08 4.01 -0.37 -4.83 117.16 114.53 3gh4 n TYR 188 Ca 0.03 -0.89 -0.09 0.00 -0.16 0.00 0.00 57.90 56.78 3gh4 n TYR 188 Cb 0.22 -0.29 -0.04 0.00 -0.31 0.00 0.00 39.34 38.92 3gh4 n TYR 188 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3gh4 n LYS 189 N -0.63 -0.92 -1.83 -0.72 5.02 -0.75 -4.49 118.16 113.84 3gh4 n LYS 189 Ca 0.21 0.78 -0.42 0.00 -2.02 0.00 0.00 58.31 56.85 3gh4 n LYS 189 Cb 0.86 -4.76 -0.03 0.00 -0.02 0.00 0.00 35.03 31.09 3gh4 n LYS 189 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3gh4 s ILE 190 N -2.21 2.27 0.00 -0.18 -1.09 -1.13 -4.90 121.20 113.96 3gh4 s ILE 190 Ca 0.00 0.21 0.00 0.00 -2.23 0.00 0.00 60.65 58.63 3gh4 s ILE 190 Cb 0.00 -3.13 0.00 0.00 -1.58 0.00 0.00 42.46 37.75 3gh4 s ILE 190 CO 0.00 0.02 0.73 -0.46 -1.23 0.00 0.00 174.94 174.00 3gh4 n ASN 191 N 3.33 1.31 -3.84 3.58 6.94 -0.27 -4.39 115.26 121.92 3gh4 n ASN 191 Ca 0.12 -1.53 -0.13 0.00 -0.02 0.00 0.00 54.58 53.02 3gh4 n ASN 191 Cb 0.37 0.00 -0.15 0.00 -2.36 0.00 0.00 39.78 37.65 3gh4 n ASN 191 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3gh4 s LYS 192 N -0.53 -0.01 -0.18 -3.83 -0.14 -1.14 -2.29 119.74 111.61 3gh4 s LYS 192 Ca 0.00 0.07 -0.00 0.00 -1.36 0.00 0.00 55.97 54.68 3gh4 s LYS 192 Cb 0.00 -0.09 0.04 0.00 -1.68 0.00 0.00 37.83 36.11 3gh4 s LYS 192 CO 0.00 -0.06 -0.06 0.12 -0.76 0.00 0.00 175.35 174.59 3gh4 s PHE 193 N 0.37 1.97 -0.29 3.18 5.36 0.41 -1.21 117.98 127.77 3gh4 s PHE 193 Ca -0.03 -1.30 -0.12 0.00 -0.96 0.00 0.00 56.93 54.52 3gh4 s PHE 193 Cb -0.04 -1.43 -0.04 0.00 -0.34 0.00 0.00 43.02 41.16 3gh4 s PHE 193 CO -0.01 -0.67 0.24 -1.58 -1.46 0.00 0.00 175.22 171.74 3gh4 s HIS 194 N 1.54 3.23 -0.32 10.12 5.65 0.47 -1.03 115.29 134.95 3gh4 s HIS 194 Ca -0.01 0.12 -0.12 0.00 0.25 0.00 0.00 55.06 55.31 3gh4 s HIS 194 Cb -0.16 -2.45 -0.03 0.00 -1.18 0.00 0.00 32.58 28.76 3gh4 s HIS 194 CO -0.08 -0.22 0.21 -1.64 -0.65 0.00 0.00 174.74 172.37 3gh4 s MET 195 N 1.83 3.64 -0.81 2.88 -1.94 -0.59 -1.65 119.30 122.67 3gh4 s MET 195 Ca 0.09 -0.54 -0.20 0.00 -1.71 0.00 0.00 55.69 53.33 3gh4 s MET 195 Cb -0.16 -3.73 0.11 0.00 2.01 0.00 0.00 34.83 33.06 3gh4 s MET 195 CO 0.11 -0.35 1.03 -1.58 -0.01 0.00 0.00 175.02 174.22 3gh4 s HIS 196 N 1.73 2.97 -1.42 -0.03 5.04 -0.71 -0.39 115.29 122.48 3gh4 s HIS 196 Ca 0.06 -1.08 0.26 0.00 -1.54 0.00 0.00 55.06 52.76 3gh4 s HIS 196 Cb -0.17 -4.25 0.64 0.00 0.04 0.00 0.00 32.58 28.84 3gh4 s HIS 196 CO 0.10 -1.51 1.50 1.28 -2.34 0.00 0.00 174.74 173.76 3gh4 n LEU 197 N 6.87 0.79 -3.68 8.88 4.77 -0.98 -2.37 117.00 131.27 3gh4 n LEU 197 Ca 0.11 -0.15 -0.14 0.00 -0.03 0.00 0.00 56.01 55.81 3gh4 n LEU 197 Cb 0.47 -0.18 -0.09 0.00 -2.33 0.00 0.00 43.42 41.30 3gh4 n LEU 197 CO 0.55 0.16 0.21 -0.94 -1.33 0.00 0.00 177.39 176.04 3gh4 s SER 198 N -2.72 -0.50 0.00 -1.43 1.04 -1.25 -0.79 113.70 108.04 3gh4 s SER 198 Ca 0.18 0.86 0.00 0.00 0.48 0.00 0.00 55.95 57.47 3gh4 s SER 198 Cb 0.18 0.88 0.00 0.00 0.10 0.00 0.00 66.02 67.18 3gh4 s SER 198 CO 0.60 -0.28 0.00 -0.67 0.98 0.00 0.00 173.24 173.87 3gh4 n ASP 199 N 2.32 0.00 0.04 7.02 -0.08 -0.42 -4.31 116.55 121.12 3gh4 n ASP 199 Ca -0.15 0.00 -0.05 0.00 -1.51 0.00 0.00 54.79 53.07 3gh4 n ASP 199 Cb 0.56 0.00 0.14 0.00 2.34 0.00 0.00 41.12 44.17 3gh4 n ASP 199 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 3gh4 h ASP 200 N 0.00 0.42 0.03 1.67 3.32 -1.90 -3.02 116.42 116.94 3gh4 h ASP 200 Ca 0.00 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.85 3gh4 h ASP 200 Cb 0.00 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.43 3gh4 h ASP 200 CO 0.00 0.82 -0.30 0.00 -1.72 0.00 0.00 179.24 178.04 3gh4 n GLN 201 N -4.00 1.40 -3.64 3.56 3.00 -1.26 -2.18 117.38 114.26 3gh4 n GLN 201 Ca -0.02 -1.08 -0.02 0.00 -0.01 0.00 0.00 57.00 55.87 3gh4 n GLN 201 Cb 0.53 -1.48 -0.04 0.00 0.00 0.00 0.00 30.24 29.25 3gh4 n GLN 201 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 3gh4 s GLY 202 N -2.35 0.10 -0.16 1.08 0.00 -1.24 -3.44 107.32 101.32 3gh4 s GLY 202 Ca 0.23 2.86 0.01 0.00 0.00 0.00 0.00 44.72 47.82 3gh4 s GLY 202 CO 0.49 1.13 -0.18 0.86 0.00 0.00 0.00 173.10 175.40 3gh4 s TRP 203 N -0.98 2.75 -0.65 1.90 -0.11 -0.26 -1.31 118.94 120.28 3gh4 s TRP 203 Ca 0.09 -1.26 0.06 0.00 1.22 0.00 0.00 56.10 56.21 3gh4 s TRP 203 Cb -0.01 -1.88 0.12 0.00 -1.50 0.00 0.00 33.47 30.20 3gh4 s TRP 203 CO -0.08 -0.59 0.95 0.54 -4.62 0.00 0.00 176.95 173.14 3gh4 n ARG 204 N 4.20 1.56 -4.57 5.86 5.12 0.03 -3.77 116.66 125.08 3gh4 n ARG 204 Ca -0.20 -1.40 -0.28 0.00 -1.93 0.00 0.00 57.85 54.04 3gh4 n ARG 204 Cb 0.51 -1.14 -0.17 0.00 -1.16 0.00 0.00 32.46 30.51 3gh4 n ARG 204 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 3gh4 s ILE 205 N -0.79 1.52 0.09 0.55 1.10 -1.26 -0.47 121.20 121.94 3gh4 s ILE 205 Ca 0.11 -0.67 -0.33 0.00 -0.51 0.00 0.00 60.65 59.25 3gh4 s ILE 205 Cb 0.06 -1.38 -0.12 0.00 0.15 0.00 0.00 42.46 41.18 3gh4 s ILE 205 CO 0.09 0.44 1.77 1.21 -2.11 0.00 0.00 174.94 176.34 3gh4 n GLU 206 N 4.06 2.50 -3.98 3.50 2.13 -0.67 -4.83 120.64 123.35 3gh4 n GLU 206 Ca -0.20 0.91 -0.31 0.00 0.66 0.00 0.00 57.16 58.22 3gh4 n GLU 206 Cb 0.51 -2.76 -0.15 0.00 0.27 0.00 0.00 31.44 29.31 3gh4 n GLU 206 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3gh4 s ILE 207 N 2.46 1.88 0.38 6.31 -1.09 -1.26 -4.64 121.20 125.23 3gh4 s ILE 207 Ca 0.83 -1.68 0.06 0.00 -2.23 0.00 0.00 60.65 57.63 3gh4 s ILE 207 Cb -0.58 -2.18 0.23 0.00 -1.58 0.00 0.00 42.46 38.35 3gh4 s ILE 207 CO 0.40 -0.27 1.99 0.11 -1.23 0.00 0.00 174.94 175.94 3gh4 h LYS 208 N 7.81 0.55 0.00 2.79 1.57 -1.95 -1.90 116.57 125.44 3gh4 h LYS 208 Ca -0.14 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 3gh4 h LYS 208 Cb 1.04 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.24 3gh4 h LYS 208 CO 0.46 0.44 0.00 -1.13 -0.57 0.00 0.00 179.45 178.65 3gh4 n SER 209 N -4.40 0.66 -3.22 0.86 3.41 -1.26 -3.94 113.62 105.73 3gh4 n SER 209 Ca 0.03 0.60 -0.24 0.00 -0.26 0.00 0.00 58.87 59.00 3gh4 n SER 209 Cb 0.12 -0.76 -0.06 0.00 -0.26 0.00 0.00 64.21 63.24 3gh4 n SER 209 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3gh4 n TRP 210 N -2.16 0.45 0.30 7.33 7.02 -0.72 -5.00 117.44 124.66 3gh4 n TRP 210 Ca 0.04 -3.70 0.19 0.00 -1.02 0.00 0.00 57.50 53.00 3gh4 n TRP 210 Cb 0.33 -0.40 0.93 0.00 -2.42 0.00 0.00 31.31 29.75 3gh4 n TRP 210 CO 0.00 0.00 0.00 -1.00 -2.02 0.00 0.00 177.69 174.67 3gh4 h PRO 211 N 3.84 0.00 0.00 -0.99 0.13 -1.67 -1.85 132.00 131.46 3gh4 h PRO 211 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3gh4 h PRO 211 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 3gh4 h PRO 211 CO 0.53 0.03 0.00 -0.25 -0.23 0.00 0.00 178.00 178.08 3gh4 n ASP 212 N -3.24 0.40 -0.26 1.44 10.43 -1.26 -1.71 116.55 122.35 3gh4 n ASP 212 Ca -0.02 0.58 0.10 0.00 2.57 0.00 0.00 54.79 58.02 3gh4 n ASP 212 Cb 0.19 -0.67 0.35 0.00 1.84 0.00 0.00 41.12 42.83 3gh4 n ASP 212 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 3gh4 h LEU 213 N 0.00 0.70 0.00 0.64 3.38 -1.66 0.12 115.31 118.49 3gh4 h LEU 213 Ca 0.00 0.03 -0.19 0.00 0.09 0.00 0.00 57.88 57.81 3gh4 h LEU 213 Cb 0.41 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3gh4 h LEU 213 CO 0.00 0.38 -1.08 0.40 0.09 0.00 0.00 178.44 178.23 3gh4 h ILE 214 N 0.75 0.95 -0.43 1.22 1.08 -1.63 -1.85 117.51 117.60 3gh4 h ILE 214 Ca 0.42 -2.12 0.07 0.00 -0.39 0.00 0.00 64.86 62.84 3gh4 h ILE 214 Cb 0.58 2.20 -0.02 0.00 -3.07 0.00 0.00 36.82 36.50 3gh4 h ILE 214 CO -0.18 0.32 0.29 -0.33 -0.69 0.00 0.00 178.15 177.56 3gh4 h GLU 215 N -1.00 0.29 0.00 2.37 4.39 -1.22 -2.90 114.58 116.51 3gh4 h GLU 215 Ca -0.29 -0.02 -0.16 0.00 0.34 0.00 0.00 59.36 59.23 3gh4 h GLU 215 Cb 1.22 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.78 3gh4 h GLU 215 CO -0.18 0.19 -1.51 -0.89 -1.16 0.00 0.00 179.01 175.47 3gh4 n ILE 216 N -4.47 0.61 0.50 3.13 5.41 0.34 -4.78 119.36 120.11 3gh4 n ILE 216 Ca 0.06 -0.12 0.12 0.00 1.00 0.00 0.00 62.75 63.81 3gh4 n ILE 216 Cb 0.29 -1.65 0.46 0.00 -0.71 0.00 0.00 39.64 38.02 3gh4 n ILE 216 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3gh4 n GLY 217 N 2.38 -1.41 0.37 7.39 0.00 -0.74 -2.75 105.19 110.42 3gh4 n GLY 217 Ca -0.19 0.03 0.11 0.00 0.00 0.00 0.00 46.02 45.97 3gh4 n GLY 217 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gh4 n SER 218 N -2.18 1.63 -0.23 1.61 3.41 -0.94 -1.10 113.62 115.82 3gh4 n SER 218 Ca 0.04 -1.27 0.02 0.00 -0.26 0.00 0.00 58.87 57.39 3gh4 n SER 218 Cb 0.30 0.45 0.05 0.00 -0.26 0.00 0.00 64.21 64.74 3gh4 n SER 218 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3gh4 n LYS 219 N -0.38 1.28 -1.33 4.33 4.76 -1.11 -1.62 118.16 124.09 3gh4 n LYS 219 Ca 0.09 -0.42 0.00 0.00 -2.87 0.00 0.00 58.31 55.11 3gh4 n LYS 219 Cb 0.42 -1.11 0.00 0.00 -1.84 0.00 0.00 35.03 32.50 3gh4 n LYS 219 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gh4 n GLY 220 N 0.66 3.35 3.94 0.72 0.00 -1.23 -4.42 105.19 108.20 3gh4 n GLY 220 Ca 0.04 -1.35 -0.00 0.00 0.00 0.00 0.00 46.02 44.71 3gh4 n GLY 220 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3gh4 s GLN 221 N -1.53 0.81 0.25 1.61 -2.07 -1.22 -3.88 119.66 113.62 3gh4 s GLN 221 Ca 0.00 -0.52 -0.31 0.00 -1.82 0.00 0.00 55.36 52.71 3gh4 s GLN 221 Cb 0.00 0.22 -0.13 0.00 -1.09 0.00 0.00 33.01 32.02 3gh4 s GLN 221 CO 0.00 -0.38 1.49 0.28 -1.32 0.00 0.00 175.29 175.36 3gh4 n VAL 222 N -0.81 0.85 -4.27 3.63 0.31 0.50 -4.60 118.33 113.94 3gh4 n VAL 222 Ca 0.00 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 3gh4 n VAL 222 Cb 0.59 -1.64 0.00 0.00 -0.91 0.00 0.00 33.84 31.88 3gh4 n VAL 222 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gh4 n GLY 223 N 2.33 -0.49 0.50 2.92 0.00 -0.00 -4.43 105.19 106.01 3gh4 n GLY 223 Ca 0.11 -1.10 -0.20 0.00 0.00 0.00 0.00 46.02 44.84 3gh4 n GLY 223 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3gh4 h GLY 224 N 0.00 -1.31 0.00 -0.02 0.00 -1.90 -3.46 103.07 96.37 3gh4 h GLY 224 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 47.33 47.82 3gh4 h GLY 224 CO 0.00 -0.48 0.00 0.61 0.00 0.00 0.00 176.54 176.67 3gh4 n GLY 225 N -1.52 0.00 0.02 4.60 0.00 -1.26 -4.70 105.19 102.33 3gh4 n GLY 225 Ca -0.16 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.00 3gh4 n GLY 225 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gh4 n PRO 226 N 0.00 0.06 0.00 1.61 -0.04 -1.26 -4.08 135.00 131.29 3gh4 n PRO 226 Ca 0.00 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 3gh4 n PRO 226 Cb 0.00 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.89 3gh4 n PRO 226 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gh4 n GLY 227 N 1.46 1.32 0.00 0.55 0.00 -1.25 -3.58 105.19 103.69 3gh4 n GLY 227 Ca 0.07 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.45 3gh4 n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gh4 n GLY 228 N 0.00 -0.16 3.75 -0.02 0.00 -0.64 -4.79 105.19 103.32 3gh4 n GLY 228 Ca 0.00 -1.76 -0.05 0.00 0.00 0.00 0.00 46.02 44.20 3gh4 n GLY 228 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3gh4 s TYR 229 N -1.30 -0.19 -0.18 1.61 -0.85 -1.26 -4.70 117.35 110.47 3gh4 s TYR 229 Ca 0.00 -0.14 -0.07 0.00 -0.52 0.00 0.00 57.07 56.34 3gh4 s TYR 229 Cb 0.00 0.65 -0.04 0.00 0.38 0.00 0.00 41.96 42.95 3gh4 s TYR 229 CO 0.00 -0.93 0.04 0.71 -1.52 0.00 0.00 175.55 173.85 3gh4 s TYR 230 N -3.48 3.17 0.94 -3.49 2.02 0.38 -5.02 117.35 111.87 3gh4 s TYR 230 Ca 0.11 -0.08 -0.11 0.00 -0.37 0.00 0.00 57.07 56.61 3gh4 s TYR 230 Cb -0.03 -2.07 0.15 0.00 -0.40 0.00 0.00 41.96 39.61 3gh4 s TYR 230 CO 0.02 0.04 1.09 0.95 -1.57 0.00 0.00 175.55 176.08 3gh4 s THR 231 N 0.53 2.49 0.43 -0.71 -4.23 -1.26 -1.66 115.64 111.23 3gh4 s THR 231 Ca 0.02 0.16 0.09 0.00 -1.18 0.00 0.00 61.69 60.78 3gh4 s THR 231 Cb -0.13 -2.48 0.25 0.00 1.34 0.00 0.00 72.50 71.47 3gh4 s THR 231 CO 0.01 -0.21 2.05 1.56 -0.54 0.00 0.00 174.62 177.50 3gh4 h GLN 232 N -1.76 0.37 -0.49 3.99 4.20 -1.97 -0.67 115.11 118.78 3gh4 h GLN 232 Ca -0.50 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.09 3gh4 h GLN 232 Cb 1.28 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.97 3gh4 h GLN 232 CO 0.51 0.28 -0.03 0.93 -0.67 0.00 0.00 178.83 179.86 3gh4 h GLU 233 N 0.37 0.89 -0.79 1.46 4.39 -1.99 -1.11 114.58 117.80 3gh4 h GLU 233 Ca 0.10 -0.30 -0.05 0.00 0.34 0.00 0.00 59.36 59.45 3gh4 h GLU 233 Cb 0.04 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 3gh4 h GLU 233 CO -0.01 0.94 0.30 1.96 -1.16 0.00 0.00 179.01 181.03 3gh4 h GLN 234 N 0.74 1.20 -0.28 2.33 4.20 -1.79 -1.20 115.11 120.31 3gh4 h GLN 234 Ca 0.14 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.62 3gh4 h GLN 234 Cb 0.56 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 3gh4 h GLN 234 CO 0.03 0.98 0.18 0.35 -0.67 0.00 0.00 178.83 179.70 3gh4 h PHE 235 N 1.16 0.34 -0.60 2.96 3.57 -0.97 -1.37 116.94 122.02 3gh4 h PHE 235 Ca 0.26 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.81 3gh4 h PHE 235 Cb 0.24 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 3gh4 h PHE 235 CO 0.02 0.21 0.40 0.87 -2.23 0.00 0.00 178.31 177.58 3gh4 h LYS 236 N 0.37 0.67 -0.39 1.11 1.57 -0.96 -1.10 116.57 117.84 3gh4 h LYS 236 Ca 0.10 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 3gh4 h LYS 236 Cb -0.03 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 3gh4 h LYS 236 CO -0.03 0.45 0.11 0.22 -0.57 0.00 0.00 179.45 179.63 3gh4 h ASP 237 N 0.70 0.58 -0.22 0.86 3.58 -0.71 0.15 116.42 121.34 3gh4 h ASP 237 Ca 0.24 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.48 3gh4 h ASP 237 Cb 0.11 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 40.99 3gh4 h ASP 237 CO -0.07 0.64 0.14 0.40 -2.88 0.00 0.00 179.24 177.48 3gh4 h ILE 238 N 0.48 1.05 -0.45 2.25 2.04 -0.63 -0.19 117.51 122.06 3gh4 h ILE 238 Ca 0.12 -0.10 0.06 0.00 1.00 0.00 0.00 64.86 65.94 3gh4 h ILE 238 Cb 0.28 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 37.04 3gh4 h ILE 238 CO -0.00 0.05 0.15 0.58 0.00 0.00 0.00 178.15 178.93 3gh4 h VAL 239 N 0.29 0.84 -0.58 1.67 2.07 -1.04 -0.09 116.25 119.41 3gh4 h VAL 239 Ca 0.08 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 3gh4 h VAL 239 Cb -0.03 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 3gh4 h VAL 239 CO -0.02 0.06 0.25 -1.28 0.02 0.00 0.00 177.57 176.59 3gh4 h SER 240 N 0.31 0.78 -0.49 0.57 0.87 -0.66 -0.44 113.55 114.48 3gh4 h SER 240 Ca 0.21 -0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 3gh4 h SER 240 Cb 0.22 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 3gh4 h SER 240 CO -0.23 0.72 0.27 0.22 -0.53 0.00 0.00 176.83 177.28 3gh4 h TYR 241 N 0.79 0.68 -0.82 2.24 3.20 -0.60 -2.32 116.97 120.15 3gh4 h TYR 241 Ca 0.20 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 3gh4 h TYR 241 Cb 0.17 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.19 3gh4 h TYR 241 CO 0.00 0.51 0.36 0.00 -1.64 0.00 0.00 178.16 177.39 3gh4 h ALA 242 N 1.11 1.08 -0.41 1.82 0.00 -0.82 -2.96 119.26 119.08 3gh4 h ALA 242 Ca 0.17 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3gh4 h ALA 242 Cb 0.05 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3gh4 h ALA 242 CO -0.03 0.67 0.27 0.00 0.00 0.00 0.00 179.25 180.16 3gh4 h ALA 243 N 1.20 1.74 0.00 0.00 0.00 -0.55 -0.00 119.26 121.66 3gh4 h ALA 243 Ca 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3gh4 h ALA 243 Cb 0.17 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3gh4 h ALA 243 CO -0.03 0.23 0.00 0.93 0.00 0.00 0.00 179.25 180.38 3gh4 h GLU 244 N 0.52 0.00 -0.37 0.00 5.08 -1.28 -1.08 114.58 117.45 3gh4 h GLU 244 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3gh4 h GLU 244 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3gh4 h GLU 244 CO -0.03 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.52 3gh4 n ARG 245 N -2.71 2.99 -3.81 2.33 1.74 -0.15 -4.98 116.66 112.08 3gh4 n ARG 245 Ca 0.00 -2.41 -0.27 0.00 -0.77 0.00 0.00 57.85 54.40 3gh4 n ARG 245 Cb 0.20 -1.52 0.04 0.00 -1.02 0.00 0.00 32.46 30.15 3gh4 n ARG 245 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3gh4 n TYR 246 N 0.32 -2.40 -4.12 -1.55 4.01 -0.41 -4.97 117.16 108.04 3gh4 n TYR 246 Ca 0.17 0.93 -0.34 0.00 -0.16 0.00 0.00 57.90 58.49 3gh4 n TYR 246 Cb 0.63 -4.31 -0.14 0.00 -0.31 0.00 0.00 39.34 35.21 3gh4 n TYR 246 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3gh4 s ILE 247 N -3.35 3.34 0.04 -0.72 1.01 -0.41 -4.81 121.20 116.30 3gh4 s ILE 247 Ca 0.56 -0.52 -0.30 0.00 0.00 0.00 0.00 60.65 60.39 3gh4 s ILE 247 Cb -0.27 -2.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.67 3gh4 s ILE 247 CO 0.80 0.45 0.99 -0.70 0.00 0.00 0.00 174.94 176.49 3gh4 s GLU 248 N 1.15 4.59 -0.27 2.79 2.12 -0.97 -3.67 118.70 124.45 3gh4 s GLU 248 Ca 0.02 1.46 -0.11 0.00 0.36 0.00 0.00 54.97 56.70 3gh4 s GLU 248 Cb -0.14 -3.42 -0.05 0.00 0.26 0.00 0.00 34.13 30.77 3gh4 s GLU 248 CO -0.01 0.02 0.17 0.08 -0.54 0.00 0.00 175.26 174.98 3gh4 s VAL 249 N 0.68 5.22 -0.34 3.70 1.01 -1.26 -0.44 120.40 128.97 3gh4 s VAL 249 Ca 0.51 0.14 -0.06 0.00 0.00 0.00 0.00 61.98 62.57 3gh4 s VAL 249 Cb -0.22 -3.48 0.05 0.00 0.00 0.00 0.00 36.38 32.73 3gh4 s VAL 249 CO 0.29 0.27 0.11 -0.63 0.00 0.00 0.00 175.10 175.14 3gh4 s ILE 250 N 1.65 3.67 0.30 2.22 1.09 -0.20 -4.47 121.20 125.45 3gh4 s ILE 250 Ca 0.07 -1.24 -0.27 0.00 -1.10 0.00 0.00 60.65 58.10 3gh4 s ILE 250 Cb -0.16 -3.12 -0.10 0.00 -1.06 0.00 0.00 42.46 38.03 3gh4 s ILE 250 CO 0.09 -0.22 0.95 -2.16 -0.10 0.00 0.00 174.94 173.50 3gh4 s PRO 251 N 1.37 4.67 -0.14 2.79 0.04 -1.26 -1.54 135.00 140.92 3gh4 s PRO 251 Ca -0.01 1.40 0.01 0.00 0.04 0.00 0.00 61.00 62.44 3gh4 s PRO 251 Cb -0.20 -2.97 0.00 0.00 0.04 0.00 0.00 34.50 31.37 3gh4 s PRO 251 CO 0.02 0.35 -0.18 -2.00 0.04 0.00 0.00 177.00 175.22 3gh4 s GLU 252 N -1.75 3.15 -0.39 4.56 2.12 0.48 -1.27 118.70 125.60 3gh4 s GLU 252 Ca 0.47 -0.79 -0.06 0.00 0.36 0.00 0.00 54.97 54.95 3gh4 s GLU 252 Cb -0.22 -2.53 0.08 0.00 0.26 0.00 0.00 34.13 31.72 3gh4 s GLU 252 CO 0.27 0.04 0.19 0.42 -0.54 0.00 0.00 175.26 175.64 3gh4 s ILE 253 N 0.73 3.69 0.07 -3.70 -1.09 -0.58 -2.31 121.20 118.00 3gh4 s ILE 253 Ca -0.08 -1.59 -0.30 0.00 -2.23 0.00 0.00 60.65 56.45 3gh4 s ILE 253 Cb -0.16 -3.31 -0.06 0.00 -1.58 0.00 0.00 42.46 37.36 3gh4 s ILE 253 CO 0.01 -0.48 1.16 -0.62 -1.23 0.00 0.00 174.94 173.78 3gh4 s ASP 254 N 1.84 7.13 0.07 3.58 -1.08 -1.26 -4.05 116.67 122.90 3gh4 s ASP 254 Ca 0.03 1.99 -0.22 0.00 -0.52 0.00 0.00 52.55 53.83 3gh4 s ASP 254 Cb -0.22 -2.58 0.05 0.00 -1.46 0.00 0.00 42.92 38.71 3gh4 s ASP 254 CO -0.00 -0.42 0.53 0.00 0.52 0.00 0.00 175.17 175.80 3gh4 s MET 255 N 0.86 1.08 0.06 4.34 0.23 -0.80 -4.61 119.30 120.46 3gh4 s MET 255 Ca 0.57 -0.29 0.27 0.00 -1.03 0.00 0.00 55.69 55.20 3gh4 s MET 255 Cb -0.29 0.49 0.88 0.00 -1.53 0.00 0.00 34.83 34.39 3gh4 s MET 255 CO 0.30 -0.41 1.71 -0.35 -2.03 0.00 0.00 175.02 174.24 3gh4 n PRO 256 N 0.24 0.09 -2.29 3.16 -0.04 -1.26 -1.31 135.00 133.58 3gh4 n PRO 256 Ca -0.18 0.05 -0.25 0.00 -0.04 0.00 0.00 63.50 63.09 3gh4 n PRO 256 Cb 0.61 -1.58 0.15 0.00 -0.04 0.00 0.00 33.50 32.64 3gh4 n PRO 256 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gh4 n GLY 257 N 1.44 -0.12 3.93 0.55 0.00 -1.26 -1.36 105.19 108.38 3gh4 n GLY 257 Ca 0.06 -1.92 -0.30 0.00 0.00 0.00 0.00 46.02 43.87 3gh4 n GLY 257 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3gh4 n HIS 258 N -3.18 -2.15 -0.43 1.61 8.25 -1.26 -4.83 115.22 113.24 3gh4 n HIS 258 Ca 0.16 0.88 0.04 0.00 -0.26 0.00 0.00 57.72 58.54 3gh4 n HIS 258 Cb 0.58 -3.88 0.07 0.00 1.12 0.00 0.00 29.99 27.88 3gh4 n HIS 258 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3gh4 n THR 259 N -4.58 1.37 -0.33 1.59 -2.24 -1.26 -3.47 114.28 105.36 3gh4 n THR 259 Ca -0.01 -1.47 0.07 0.00 -2.27 0.00 0.00 64.05 60.37 3gh4 n THR 259 Cb 0.55 0.21 0.27 0.00 -2.10 0.00 0.00 70.33 69.26 3gh4 n THR 259 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 3gh4 h ASN 260 N 0.28 0.87 -0.83 3.42 -1.24 -1.76 -1.87 115.58 114.45 3gh4 h ASN 260 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.05 3gh4 h ASN 260 Cb 0.74 -0.14 -0.04 0.00 0.73 0.00 0.00 38.32 39.61 3gh4 h ASN 260 CO 0.01 0.49 0.53 0.00 -1.29 0.00 0.00 177.43 177.17 3gh4 h ALA 261 N 1.54 1.05 -0.53 1.57 0.00 -1.30 0.26 119.26 121.85 3gh4 h ALA 261 Ca 0.46 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.26 3gh4 h ALA 261 Cb 0.46 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3gh4 h ALA 261 CO -0.22 0.47 0.19 0.00 0.00 0.00 0.00 179.25 179.69 3gh4 h ALA 262 N 1.29 0.69 0.00 0.00 0.00 -1.64 -2.68 119.26 116.92 3gh4 h ALA 262 Ca 0.30 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3gh4 h ALA 262 Cb -0.10 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 3gh4 h ALA 262 CO -0.06 0.33 -0.10 -0.07 0.00 0.00 0.00 179.25 179.35 3gh4 h LEU 263 N 0.73 0.00 0.00 0.00 3.38 -0.54 -1.55 115.31 117.32 3gh4 h LEU 263 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3gh4 h LEU 263 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3gh4 h LEU 263 CO -0.01 0.10 -0.41 0.00 0.09 0.00 0.00 178.44 178.21 3gh4 n ALA 264 N -2.19 3.00 -0.06 1.53 0.00 0.83 -1.20 120.51 122.41 3gh4 n ALA 264 Ca -0.01 -0.24 -0.18 0.00 0.00 0.00 0.00 53.44 53.01 3gh4 n ALA 264 Cb 0.27 -1.23 -0.13 0.00 0.00 0.00 0.00 19.45 18.36 3gh4 n ALA 264 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3gh4 n SER 265 N -1.78 1.72 -3.86 0.00 7.64 -0.64 -4.52 113.62 112.18 3gh4 n SER 265 Ca 0.05 0.09 -0.29 0.00 1.01 0.00 0.00 58.87 59.73 3gh4 n SER 265 Cb 0.38 -0.43 -0.16 0.00 -1.01 0.00 0.00 64.21 62.99 3gh4 n SER 265 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3gh4 s TYR 266 N -2.54 1.85 0.36 1.43 2.02 -0.84 -4.84 117.35 114.78 3gh4 s TYR 266 Ca -0.24 -1.39 0.05 0.00 -0.37 0.00 0.00 57.07 55.13 3gh4 s TYR 266 Cb 0.08 -1.36 0.72 0.00 -0.40 0.00 0.00 41.96 41.00 3gh4 s TYR 266 CO 0.72 -0.71 1.96 0.78 -1.57 0.00 0.00 175.55 176.73 3gh4 h GLY 267 N 8.07 0.97 2.00 0.71 0.00 -1.79 -2.36 103.07 110.68 3gh4 h GLY 267 Ca -0.18 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3gh4 h GLY 267 CO 0.38 0.23 0.00 -1.84 0.00 0.00 0.00 176.54 175.32 3gh4 n GLU 268 N -4.48 0.10 0.00 4.80 0.28 -1.25 -0.92 120.64 119.18 3gh4 n GLU 268 Ca 0.11 0.53 0.14 0.00 -0.16 0.00 0.00 57.16 57.78 3gh4 n GLU 268 Cb 0.22 -1.79 0.67 0.00 1.43 0.00 0.00 31.44 31.96 3gh4 n GLU 268 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3gh4 n LEU 269 N -2.01 0.16 -4.63 -1.84 4.77 -0.89 -4.86 117.00 107.71 3gh4 n LEU 269 Ca -0.00 0.23 -0.31 0.00 -0.03 0.00 0.00 56.01 55.90 3gh4 n LEU 269 Cb 0.07 -0.29 -0.09 0.00 -2.33 0.00 0.00 43.42 40.78 3gh4 n LEU 269 CO 0.09 0.03 -0.37 0.20 -1.33 0.00 0.00 177.39 176.01 3gh4 s ASN 270 N -2.64 4.74 0.29 -1.43 0.01 -0.09 -4.22 114.94 111.60 3gh4 s ASN 270 Ca 0.25 -0.22 0.01 0.00 -0.71 0.00 0.00 52.86 52.19 3gh4 s ASN 270 Cb 0.20 -1.07 0.54 0.00 0.41 0.00 0.00 41.25 41.34 3gh4 s ASN 270 CO 0.49 0.21 1.85 -0.65 -1.51 0.00 0.00 177.10 177.49 3gh4 h PRO 271 N 3.80 0.98 -0.09 -0.60 0.11 -1.89 -1.63 132.00 132.68 3gh4 h PRO 271 Ca -0.48 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3gh4 h PRO 271 Cb 1.17 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3gh4 h PRO 271 CO 0.56 0.65 0.00 -0.40 -0.21 0.00 0.00 178.00 178.60 3gh4 n ASP 272 N -4.59 1.06 0.00 -2.05 5.68 -1.26 -4.92 116.55 110.47 3gh4 n ASP 272 Ca 0.18 -1.57 0.00 0.00 -0.50 0.00 0.00 54.79 52.90 3gh4 n ASP 272 Cb 0.32 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.25 3gh4 n ASP 272 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gh4 n GLY 273 N 1.02 0.58 3.87 6.12 0.00 -0.61 -5.00 105.19 111.17 3gh4 n GLY 273 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3gh4 n GLY 273 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gh4 s LYS 274 N -0.41 3.36 0.35 1.61 1.02 -1.22 -3.94 119.74 120.51 3gh4 s LYS 274 Ca 0.00 -0.30 -0.29 0.00 0.02 0.00 0.00 55.97 55.40 3gh4 s LYS 274 Cb 0.00 -3.07 -0.11 0.00 -0.52 0.00 0.00 37.83 34.13 3gh4 s LYS 274 CO 0.00 0.70 1.50 1.03 -0.92 0.00 0.00 175.35 177.66 3gh4 s ARG 275 N -1.64 4.14 0.63 1.68 0.52 -1.26 -4.53 118.95 118.49 3gh4 s ARG 275 Ca 0.23 2.54 -0.17 0.00 -0.52 0.00 0.00 55.73 57.81 3gh4 s ARG 275 Cb -0.12 -3.00 -0.02 0.00 0.52 0.00 0.00 34.95 32.34 3gh4 s ARG 275 CO 0.14 -0.53 1.14 0.15 0.02 0.00 0.00 175.30 176.21 3gh4 s LYS 276 N -1.59 2.90 0.46 3.54 -0.14 -0.34 -4.94 119.74 119.63 3gh4 s LYS 276 Ca 0.55 1.55 -0.23 0.00 -1.36 0.00 0.00 55.97 56.48 3gh4 s LYS 276 Cb -0.46 -1.95 -0.07 0.00 -1.68 0.00 0.00 37.83 33.67 3gh4 s LYS 276 CO 0.58 -1.20 1.18 0.00 -0.76 0.00 0.00 175.35 175.15 3gh4 s ALA 277 N -2.05 2.99 0.60 5.17 0.00 -1.26 -4.27 121.76 122.95 3gh4 s ALA 277 Ca 0.71 0.97 -0.19 0.00 0.00 0.00 0.00 51.96 53.45 3gh4 s ALA 277 Cb -0.24 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 3gh4 s ALA 277 CO 0.37 -0.69 1.24 -1.64 0.00 0.00 0.00 175.76 175.03 3gh4 s MET 278 N -2.65 2.87 -0.10 0.00 -1.94 -1.26 -4.84 119.30 111.38 3gh4 s MET 278 Ca 0.63 1.91 0.03 0.00 -1.71 0.00 0.00 55.69 56.55 3gh4 s MET 278 Cb -0.30 -1.93 -0.01 0.00 2.01 0.00 0.00 34.83 34.61 3gh4 s MET 278 CO 0.36 -1.31 -0.19 1.03 -0.01 0.00 0.00 175.02 174.91 3gh4 s ARG 279 N -3.31 3.05 0.00 2.03 1.81 -1.26 -4.99 118.95 116.27 3gh4 s ARG 279 Ca 0.79 -0.80 0.00 0.00 -1.72 0.00 0.00 55.73 54.00 3gh4 s ARG 279 Cb -0.33 -2.41 0.00 0.00 -0.45 0.00 0.00 34.95 31.76 3gh4 s ARG 279 CO 0.35 0.27 0.82 0.25 -0.68 0.00 0.00 175.30 176.31 3gh4 n THR 280 N 3.32 0.67 -1.46 0.02 -2.24 -1.26 -4.28 114.28 109.05 3gh4 n THR 280 Ca -0.18 -0.80 -0.05 0.00 -2.27 0.00 0.00 64.05 60.75 3gh4 n THR 280 Cb 0.53 0.69 0.03 0.00 -2.10 0.00 0.00 70.33 69.48 3gh4 n THR 280 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3gh4 n ASP 281 N -0.33 0.08 -0.22 3.42 3.85 -1.26 -0.82 116.55 121.26 3gh4 n ASP 281 Ca 0.00 -1.12 0.03 0.00 -0.71 0.00 0.00 54.79 52.99 3gh4 n ASP 281 Cb 0.20 -0.16 0.06 0.00 -1.35 0.00 0.00 41.12 39.87 3gh4 n ASP 281 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 3gh4 n THR 282 N -2.15 1.10 -1.59 2.12 -2.24 -1.26 -4.82 114.28 105.45 3gh4 n THR 282 Ca 0.03 -1.11 -0.35 0.00 -2.27 0.00 0.00 64.05 60.34 3gh4 n THR 282 Cb 0.10 0.43 0.08 0.00 -2.10 0.00 0.00 70.33 68.84 3gh4 n THR 282 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gh4 s ALA 283 N -1.19 2.24 0.18 6.98 0.00 -1.26 -5.05 121.76 123.66 3gh4 s ALA 283 Ca 0.10 0.98 0.04 0.00 0.00 0.00 0.00 51.96 53.08 3gh4 s ALA 283 Cb 0.07 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 3gh4 s ALA 283 CO 0.05 -1.71 -0.06 0.14 0.00 0.00 0.00 175.76 174.17 3gh4 s VAL 284 N -1.79 1.11 0.00 0.00 -7.23 -1.26 -4.93 120.40 106.30 3gh4 s VAL 284 Ca 0.77 -2.05 0.00 0.00 -1.81 0.00 0.00 61.98 58.89 3gh4 s VAL 284 Cb -0.31 -2.04 0.00 0.00 0.56 0.00 0.00 36.38 34.59 3gh4 s VAL 284 CO 0.42 -0.58 0.00 0.61 -0.31 0.00 0.00 175.10 175.24 3gh4 n GLY 285 N -0.28 0.55 0.07 2.32 0.00 -1.26 -4.94 105.19 101.65 3gh4 n GLY 285 Ca -0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.05 3gh4 n GLY 285 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3gh4 n TYR 286 N -2.00 0.55 -3.77 1.61 0.18 -1.26 -2.65 117.16 109.82 3gh4 n TYR 286 Ca 0.00 0.16 -0.30 0.00 1.88 0.00 0.00 57.90 59.64 3gh4 n TYR 286 Cb 0.00 -0.69 -0.04 0.00 -0.38 0.00 0.00 39.34 38.23 3gh4 n TYR 286 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 3gh4 s SER 287 N -4.65 6.42 -0.17 9.48 1.04 -1.26 -4.72 113.70 119.85 3gh4 s SER 287 Ca 0.00 0.42 -0.18 0.00 0.48 0.00 0.00 55.95 56.68 3gh4 s SER 287 Cb 0.12 -2.02 0.05 0.00 0.10 0.00 0.00 66.02 64.27 3gh4 s SER 287 CO 0.80 0.07 0.50 0.28 0.98 0.00 0.00 173.24 175.87 3gh4 s THR 288 N -1.65 0.00 0.82 2.02 -1.32 -1.26 -4.06 115.64 110.19 3gh4 s THR 288 Ca 0.38 -0.04 -0.11 0.00 -1.21 0.00 0.00 61.69 60.72 3gh4 s THR 288 Cb -0.12 -0.71 0.08 0.00 -1.51 0.00 0.00 72.50 70.24 3gh4 s THR 288 CO 0.27 -0.02 1.09 -0.76 -2.21 0.00 0.00 174.62 172.99 3gh4 s LEU 289 N 0.06 2.71 -0.47 9.08 1.43 -0.47 -4.99 118.68 126.04 3gh4 s LEU 289 Ca -0.02 1.66 -0.28 0.00 -1.03 0.00 0.00 54.13 54.46 3gh4 s LEU 289 Cb -0.03 -4.25 0.03 0.00 0.03 0.00 0.00 46.19 41.96 3gh4 s LEU 289 CO 0.01 -2.24 1.09 -0.04 0.23 0.00 0.00 176.35 175.40 3gh4 s MET 290 N -4.94 3.68 0.51 1.70 -1.94 -1.26 -4.92 119.30 112.15 3gh4 s MET 290 Ca 0.62 0.48 0.30 0.00 -1.71 0.00 0.00 55.69 55.38 3gh4 s MET 290 Cb -0.17 -3.91 1.25 0.00 2.01 0.00 0.00 34.83 34.01 3gh4 s MET 290 CO 0.56 -1.34 1.95 -1.35 -0.01 0.00 0.00 175.02 174.83 3gh4 h PRO 291 N 9.17 0.00 -0.16 2.03 0.11 -1.94 -3.13 132.00 138.09 3gh4 h PRO 291 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3gh4 h PRO 291 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3gh4 h PRO 291 CO 1.10 0.09 0.00 0.54 -0.21 0.00 0.00 178.00 179.52 3gh4 n ARG 292 N -3.24 2.33 -4.32 1.05 5.12 -1.26 -4.79 116.66 111.55 3gh4 n ARG 292 Ca 0.00 -2.74 -0.34 0.00 -1.93 0.00 0.00 57.85 52.84 3gh4 n ARG 292 Cb 0.34 -1.71 -0.12 0.00 -1.16 0.00 0.00 32.46 29.80 3gh4 n ARG 292 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3gh4 s ALA 293 N -2.83 3.04 0.52 7.54 0.00 -1.18 -5.00 121.76 123.85 3gh4 s ALA 293 Ca 0.38 -0.83 0.17 0.00 0.00 0.00 0.00 51.96 51.68 3gh4 s ALA 293 Cb 0.32 -1.62 1.30 0.00 0.00 0.00 0.00 23.12 23.11 3gh4 s ALA 293 CO 0.07 0.16 2.15 0.93 0.00 0.00 0.00 175.76 179.07 3gh4 h GLU 294 N 6.80 0.00 -0.59 0.00 4.39 -1.93 -1.91 114.58 121.34 3gh4 h GLU 294 Ca -0.32 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.45 3gh4 h GLU 294 Cb 1.19 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.80 3gh4 h GLU 294 CO 0.63 0.01 0.39 0.97 -1.16 0.00 0.00 179.01 179.86 3gh4 h ILE 295 N 0.00 0.97 -0.29 3.13 6.09 -1.94 -0.97 117.51 124.51 3gh4 h ILE 295 Ca -0.00 -0.18 0.02 0.00 -1.37 0.00 0.00 64.86 63.33 3gh4 h ILE 295 Cb 0.01 0.39 -0.03 0.00 0.47 0.00 0.00 36.82 37.67 3gh4 h ILE 295 CO 0.00 0.10 0.12 0.74 -3.07 0.00 0.00 178.15 176.04 3gh4 h THR 296 N 0.53 0.96 -0.00 2.19 2.02 -1.62 -0.09 112.91 116.90 3gh4 h THR 296 Ca 0.26 -0.09 -0.15 0.00 0.77 0.00 0.00 66.41 67.20 3gh4 h THR 296 Cb 0.34 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 3gh4 h THR 296 CO -0.08 0.05 -0.70 1.88 0.37 0.00 0.00 175.52 177.04 3gh4 h TYR 297 N 0.26 0.01 -0.07 3.16 0.05 -1.39 0.06 116.97 119.06 3gh4 h TYR 297 Ca 0.12 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.90 3gh4 h TYR 297 Cb 0.07 -0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.80 3gh4 h TYR 297 CO -0.11 0.71 0.03 0.37 -1.05 0.00 0.00 178.16 178.10 3gh4 h GLN 298 N 0.00 0.10 -0.09 4.88 5.75 -1.04 -0.70 115.11 124.01 3gh4 h GLN 298 Ca -0.01 -0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.52 3gh4 h GLN 298 Cb 1.25 -0.02 -0.05 0.00 1.07 0.00 0.00 27.48 29.73 3gh4 h GLN 298 CO 0.09 0.24 -0.23 0.35 -2.65 0.00 0.00 178.83 176.63 3gh4 h PHE 299 N -0.06 -0.60 -0.60 3.99 3.57 -0.80 -0.61 116.94 121.83 3gh4 h PHE 299 Ca 0.02 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.59 3gh4 h PHE 299 Cb 0.18 0.28 -0.04 0.00 2.79 0.00 0.00 35.95 39.15 3gh4 h PHE 299 CO -0.02 -0.31 0.35 0.28 -2.23 0.00 0.00 178.31 176.38 3gh4 h VAL 300 N -0.31 1.02 -0.69 1.41 2.07 -0.96 -1.59 116.25 117.20 3gh4 h VAL 300 Ca 0.09 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 3gh4 h VAL 300 Cb 0.44 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 3gh4 h VAL 300 CO -0.27 0.12 0.43 -0.08 0.02 0.00 0.00 177.57 177.79 3gh4 h GLU 301 N 0.68 0.93 -0.61 1.57 4.81 -0.81 0.11 114.58 121.26 3gh4 h GLU 301 Ca 0.25 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 3gh4 h GLU 301 Cb 0.09 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 3gh4 h GLU 301 CO -0.13 0.65 0.31 -0.44 -0.73 0.00 0.00 179.01 178.67 3gh4 h ASP 302 N 0.94 0.78 0.19 1.04 3.32 -0.68 0.19 116.42 122.21 3gh4 h ASP 302 Ca 0.25 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 3gh4 h ASP 302 Cb -0.05 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.30 3gh4 h ASP 302 CO -0.05 0.67 -0.09 0.58 -1.72 0.00 0.00 179.24 178.63 3gh4 h VAL 303 N 0.83 0.87 -0.58 -1.35 2.07 -0.96 -2.33 116.25 114.80 3gh4 h VAL 303 Ca 0.21 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.45 3gh4 h VAL 303 Cb 0.08 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3gh4 h VAL 303 CO -0.03 0.07 0.38 0.40 0.02 0.00 0.00 177.57 178.40 3gh4 h ILE 304 N -0.40 1.13 -0.29 4.57 2.04 -0.66 -0.63 117.51 123.25 3gh4 h ILE 304 Ca -0.03 -0.26 0.06 0.00 1.00 0.00 0.00 64.86 65.63 3gh4 h ILE 304 Cb 0.31 0.30 -0.06 0.00 -0.74 0.00 0.00 36.82 36.63 3gh4 h ILE 304 CO 0.04 0.14 -0.10 -1.28 0.00 0.00 0.00 178.15 176.95 3gh4 h SER 305 N 0.76 -0.36 -0.41 1.72 0.87 -0.55 0.18 113.55 115.75 3gh4 h SER 305 Ca 0.22 0.10 -0.13 0.00 -1.23 0.00 0.00 61.79 60.74 3gh4 h SER 305 Cb -0.06 0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 3gh4 h SER 305 CO -0.06 -0.13 -0.27 -0.33 -0.53 0.00 0.00 176.83 175.50 3gh4 h GLU 306 N -0.05 0.90 -0.23 2.24 5.08 -1.12 -2.50 114.58 118.90 3gh4 h GLU 306 Ca 0.15 -0.43 -0.08 0.00 -1.00 0.00 0.00 59.36 58.00 3gh4 h GLU 306 Cb 0.27 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 3gh4 h GLU 306 CO -0.33 1.08 -0.18 1.25 -1.00 0.00 0.00 179.01 179.83 3gh4 h LEU 307 N 0.72 0.56 -1.05 1.33 5.85 -0.97 -3.05 115.31 118.70 3gh4 h LEU 307 Ca 0.08 -0.45 0.11 0.00 0.84 0.00 0.00 57.88 58.46 3gh4 h LEU 307 Cb 0.85 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.64 3gh4 h LEU 307 CO 0.07 0.90 0.62 0.00 -0.34 0.00 0.00 178.44 179.70 3gh4 h ALA 308 N 0.68 1.55 0.00 1.25 0.00 -0.64 -1.34 119.26 120.75 3gh4 h ALA 308 Ca 0.04 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3gh4 h ALA 308 Cb 0.72 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3gh4 h ALA 308 CO 0.05 0.22 -0.04 0.00 0.00 0.00 0.00 179.25 179.48 3gh4 h ALA 309 N 1.54 1.26 -0.03 0.00 0.00 -1.33 -3.06 119.26 117.64 3gh4 h ALA 309 Ca 0.48 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3gh4 h ALA 309 Cb 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3gh4 h ALA 309 CO -0.24 0.05 0.00 0.44 0.00 0.00 0.00 179.25 179.50 3gh4 n ILE 310 N -3.52 0.22 -3.91 0.00 -5.35 -0.69 -4.93 119.36 101.19 3gh4 n ILE 310 Ca -0.02 -0.61 -0.30 0.00 -0.27 0.00 0.00 62.75 61.54 3gh4 n ILE 310 Cb 0.15 0.94 -0.15 0.00 -1.74 0.00 0.00 39.64 38.84 3gh4 n ILE 310 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3gh4 s SER 311 N -0.44 4.39 0.55 7.28 0.15 -0.59 -4.67 113.70 120.36 3gh4 s SER 311 Ca 0.05 -1.84 0.34 0.00 0.70 0.00 0.00 55.95 55.19 3gh4 s SER 311 Cb 0.03 -1.29 1.41 0.00 -1.71 0.00 0.00 66.02 64.45 3gh4 s SER 311 CO 0.04 -0.37 2.00 1.55 1.20 0.00 0.00 173.24 177.66 3gh4 h PRO 312 N 7.83 0.00 -6.50 5.44 0.13 -1.89 -3.45 132.00 133.55 3gh4 h PRO 312 Ca -0.09 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.43 3gh4 h PRO 312 Cb 1.02 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.25 3gh4 h PRO 312 CO 0.49 0.02 0.30 0.45 -0.23 0.00 0.00 178.00 179.03 3gh4 n SER 313 N -3.13 1.78 0.00 1.44 2.88 -1.26 -4.83 113.62 110.50 3gh4 n SER 313 Ca 0.00 1.17 0.04 0.00 -1.33 0.00 0.00 58.87 58.75 3gh4 n SER 313 Cb 0.30 -1.33 0.20 0.00 -0.75 0.00 0.00 64.21 62.63 3gh4 n SER 313 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3gh4 n PRO 314 N 1.15 0.09 -4.48 -1.46 -0.04 -1.26 -4.74 135.00 124.26 3gh4 n PRO 314 Ca 0.10 0.25 -0.33 0.00 -0.04 0.00 0.00 63.50 63.48 3gh4 n PRO 314 Cb 0.31 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.16 3gh4 n PRO 314 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3gh4 s TYR 315 N -2.68 2.92 -0.07 0.54 1.51 -1.26 -0.63 117.35 117.68 3gh4 s TYR 315 Ca 0.07 -0.01 0.02 0.00 -1.01 0.00 0.00 57.07 56.14 3gh4 s TYR 315 Cb 0.05 -1.64 0.01 0.00 -0.11 0.00 0.00 41.96 40.28 3gh4 s TYR 315 CO 0.13 0.37 -0.14 -1.50 -1.11 0.00 0.00 175.55 173.31 3gh4 s ILE 316 N -0.96 1.26 -0.24 2.71 2.07 -0.08 -4.54 121.20 121.42 3gh4 s ILE 316 Ca 0.16 -0.54 -0.16 0.00 -1.41 0.00 0.00 60.65 58.70 3gh4 s ILE 316 Cb -0.11 -1.15 -0.04 0.00 0.13 0.00 0.00 42.46 41.30 3gh4 s ILE 316 CO 0.06 0.39 0.42 -2.28 -1.91 0.00 0.00 174.94 171.61 3gh4 s HIS 317 N 0.70 3.30 -0.65 3.50 5.65 -0.40 -1.02 115.29 126.36 3gh4 s HIS 317 Ca -0.14 0.54 0.15 0.00 0.25 0.00 0.00 55.06 55.87 3gh4 s HIS 317 Cb -0.16 -2.59 0.56 0.00 -1.18 0.00 0.00 32.58 29.21 3gh4 s HIS 317 CO 0.03 -0.17 1.48 1.28 -0.65 0.00 0.00 174.74 176.72 3gh4 n LEU 318 N 5.08 4.10 0.00 8.88 4.77 -0.19 -1.53 117.00 138.11 3gh4 n LEU 318 Ca -0.07 -2.59 0.00 0.00 -0.03 0.00 0.00 56.01 53.32 3gh4 n LEU 318 Cb 0.51 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3gh4 n LEU 318 CO 0.39 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.79 3gh4 n GLY 319 N 0.34 3.39 0.15 -0.72 0.00 -1.26 -1.90 105.19 105.20 3gh4 n GLY 319 Ca 0.21 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3gh4 n GLY 319 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gh4 n GLY 320 N 0.00 0.86 3.86 -0.02 0.00 -0.43 -0.22 105.19 109.25 3gh4 n GLY 320 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3gh4 n GLY 320 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3gh4 s ASP 321 N -2.23 6.69 -1.54 1.61 -4.77 -1.26 -4.32 116.67 110.84 3gh4 s ASP 321 Ca 0.00 1.03 -0.11 0.00 -3.30 0.00 0.00 52.55 50.17 3gh4 s ASP 321 Cb 0.00 -2.27 0.08 0.00 -1.09 0.00 0.00 42.92 39.64 3gh4 s ASP 321 CO 0.00 -0.09 0.75 -0.62 0.70 0.00 0.00 175.17 175.92 3gh4 n GLU 322 N -0.09 -4.12 -1.47 2.11 1.02 -1.26 -4.61 120.64 112.22 3gh4 n GLU 322 Ca 0.01 0.48 -0.33 0.00 -0.02 0.00 0.00 57.16 57.29 3gh4 n GLU 322 Cb 0.52 -5.09 -0.05 0.00 -0.02 0.00 0.00 31.44 26.80 3gh4 n GLU 322 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3gh4 n SER 323 N -2.83 7.73 0.03 1.62 7.64 -1.26 -4.08 113.62 122.46 3gh4 n SER 323 Ca -0.06 -2.79 0.10 0.00 1.01 0.00 0.00 58.87 57.13 3gh4 n SER 323 Cb 0.57 -1.44 0.43 0.00 -1.01 0.00 0.00 64.21 62.75 3gh4 n SER 323 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3gh4 n ASN 324 N 2.58 0.16 -1.25 6.43 3.02 -1.15 -1.38 115.26 123.67 3gh4 n ASN 324 Ca 0.65 0.53 0.11 0.00 -0.03 0.00 0.00 54.58 55.84 3gh4 n ASN 324 Cb 0.39 -0.57 0.30 0.00 -0.61 0.00 0.00 39.78 39.29 3gh4 n ASN 324 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gh4 n ALA 325 N -1.56 2.38 -3.25 5.41 0.00 -1.08 -4.88 120.51 117.52 3gh4 n ALA 325 Ca 0.04 -1.30 -0.32 0.00 0.00 0.00 0.00 53.44 51.86 3gh4 n ALA 325 Cb 0.24 -0.85 -0.16 0.00 0.00 0.00 0.00 19.45 18.68 3gh4 n ALA 325 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3gh4 s THR 326 N -1.05 2.29 0.68 0.00 2.01 -0.48 -4.84 115.64 114.25 3gh4 s THR 326 Ca 0.45 -0.93 -0.15 0.00 0.31 0.00 0.00 61.69 61.37 3gh4 s THR 326 Cb 0.24 -1.90 0.01 0.00 0.01 0.00 0.00 72.50 70.86 3gh4 s THR 326 CO 0.30 0.55 1.14 -0.94 -0.69 0.00 0.00 174.62 174.98 3gh4 s SER 327 N 0.42 4.80 0.24 3.53 1.04 -1.26 -4.78 113.70 117.69 3gh4 s SER 327 Ca -0.15 2.12 -0.05 0.00 0.48 0.00 0.00 55.95 58.35 3gh4 s SER 327 Cb -0.17 -2.56 0.41 0.00 0.10 0.00 0.00 66.02 63.80 3gh4 s SER 327 CO 0.07 -1.85 1.73 0.00 0.98 0.00 0.00 173.24 174.17 3gh4 h ALA 328 N -0.07 0.99 -0.47 5.32 0.00 -1.99 0.11 119.26 123.15 3gh4 h ALA 328 Ca -0.47 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 3gh4 h ALA 328 Cb 1.26 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 3gh4 h ALA 328 CO 0.53 -0.21 0.17 0.00 0.00 0.00 0.00 179.25 179.73 3gh4 h ALA 329 N 1.52 0.61 -0.08 0.00 0.00 -2.00 -1.86 119.26 117.46 3gh4 h ALA 329 Ca 0.39 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 3gh4 h ALA 329 Cb 0.57 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3gh4 h ALA 329 CO -0.39 0.24 -0.54 -0.44 0.00 0.00 0.00 179.25 178.12 3gh4 h ASP 330 N 0.62 0.25 -0.38 0.00 3.32 -1.79 -2.52 116.42 115.93 3gh4 h ASP 330 Ca 0.15 -0.13 -0.11 0.00 0.02 0.00 0.00 57.03 56.96 3gh4 h ASP 330 Cb 0.23 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3gh4 h ASP 330 CO -0.01 0.75 -0.21 0.22 -1.72 0.00 0.00 179.24 178.27 3gh4 h TYR 331 N 0.18 0.94 -0.16 4.55 3.20 -0.59 0.32 116.97 125.41 3gh4 h TYR 331 Ca 0.00 -0.24 0.02 0.00 3.14 0.00 0.00 58.73 61.65 3gh4 h TYR 331 Cb 1.01 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 39.05 3gh4 h TYR 331 CO 0.02 1.00 0.03 0.22 -1.64 0.00 0.00 178.16 177.78 3gh4 h ASP 332 N 0.61 0.00 0.08 -2.11 3.58 -1.24 -0.70 116.42 116.64 3gh4 h ASP 332 Ca 0.08 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.55 3gh4 h ASP 332 Cb 0.77 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.85 3gh4 h ASP 332 CO 0.06 0.03 -0.04 0.22 -2.88 0.00 0.00 179.24 176.63 3gh4 h TYR 333 N 0.09 -0.10 -0.02 0.28 3.20 -1.38 -2.43 116.97 116.62 3gh4 h TYR 333 Ca 0.07 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.96 3gh4 h TYR 333 Cb 0.06 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 3gh4 h TYR 333 CO -0.13 0.16 -0.08 0.35 -1.64 0.00 0.00 178.16 176.81 3gh4 h PHE 334 N -0.34 -0.21 -0.04 -3.82 3.57 -0.27 -1.48 116.94 114.35 3gh4 h PHE 334 Ca -0.01 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.41 3gh4 h PHE 334 Cb 0.30 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 3gh4 h PHE 334 CO 0.01 -0.13 -0.37 0.35 -2.23 0.00 0.00 178.31 175.94 3gh4 h PHE 335 N -0.13 0.09 -0.44 0.41 3.04 -1.14 -1.01 116.94 117.75 3gh4 h PHE 335 Ca 0.04 -0.02 -0.08 0.00 3.98 0.00 0.00 57.97 61.89 3gh4 h PHE 335 Cb 0.19 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.66 3gh4 h PHE 335 CO -0.16 0.44 -0.06 0.78 -2.02 0.00 0.00 178.31 177.29 3gh4 h GLY 336 N 1.13 0.88 0.98 2.40 0.00 -1.24 -1.71 103.07 105.52 3gh4 h GLY 336 Ca 0.01 -0.69 -0.05 0.00 0.00 0.00 0.00 47.33 46.60 3gh4 h GLY 336 CO 0.05 0.63 0.14 3.21 0.00 0.00 0.00 176.54 180.57 3gh4 h ARG 337 N 0.64 0.83 0.00 4.80 3.08 -0.58 -1.95 114.38 121.20 3gh4 h ARG 337 Ca 0.12 -0.19 -0.11 0.00 0.07 0.00 0.00 59.98 59.86 3gh4 h ARG 337 Cb 0.58 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 3gh4 h ARG 337 CO 0.03 0.78 -0.54 -0.39 -1.07 0.00 0.00 179.97 178.78 3gh4 h VAL 338 N 0.73 1.18 -0.66 2.04 -1.51 -1.18 -2.37 116.25 114.47 3gh4 h VAL 338 Ca 0.17 -1.99 -0.05 0.00 -1.23 0.00 0.00 66.70 63.59 3gh4 h VAL 338 Cb 0.31 2.14 -0.03 0.00 -2.13 0.00 0.00 31.29 31.59 3gh4 h VAL 338 CO -0.00 0.53 0.21 0.74 -1.23 0.00 0.00 177.57 177.82 3gh4 h THR 339 N 0.00 1.25 -0.79 7.19 2.02 -1.15 -1.00 112.91 120.43 3gh4 h THR 339 Ca -0.01 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 66.32 3gh4 h THR 339 Cb 1.10 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 68.03 3gh4 h THR 339 CO 0.07 0.33 0.51 0.00 0.37 0.00 0.00 175.52 176.80 3gh4 h ALA 340 N 1.08 1.01 -0.02 6.16 0.00 -1.06 -0.68 119.26 125.74 3gh4 h ALA 340 Ca 0.21 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3gh4 h ALA 340 Cb 0.29 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3gh4 h ALA 340 CO -0.01 0.44 0.01 0.82 0.00 0.00 0.00 179.25 180.51 3gh4 h ILE 341 N 1.08 1.17 -0.45 0.00 2.04 -1.19 -1.47 117.51 118.69 3gh4 h ILE 341 Ca 0.29 -0.51 0.06 0.00 1.00 0.00 0.00 64.86 65.70 3gh4 h ILE 341 Cb -0.10 1.48 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 3gh4 h ILE 341 CO -0.06 0.14 0.16 0.00 0.00 0.00 0.00 178.15 178.38 3gh4 h ALA 342 N 0.80 0.54 -0.39 1.87 0.00 -1.02 -1.72 119.26 119.34 3gh4 h ALA 342 Ca 0.01 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3gh4 h ALA 342 Cb 0.22 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3gh4 h ALA 342 CO -0.00 -0.23 0.17 -0.91 0.00 0.00 0.00 179.25 178.27 3gh4 h ASN 343 N 0.33 0.48 0.71 0.00 -0.26 -0.79 -1.25 115.58 114.79 3gh4 h ASN 343 Ca 0.21 -0.04 -0.02 0.00 -0.56 0.00 0.00 56.30 55.89 3gh4 h ASN 343 Cb 0.21 -0.12 -0.00 0.00 -1.06 0.00 0.00 38.32 37.35 3gh4 h ASN 343 CO -0.22 0.43 -0.08 0.28 -1.06 0.00 0.00 177.43 176.78 3gh4 h SER 344 N 0.54 0.00 -0.62 5.81 0.02 -0.36 -1.51 113.55 117.43 3gh4 h SER 344 Ca 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3gh4 h SER 344 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 3gh4 h SER 344 CO -0.02 0.08 0.00 -1.22 -1.14 0.00 0.00 176.83 174.53 3gh4 n TYR 345 N -3.28 1.72 -1.06 3.45 4.01 -0.58 -4.94 117.16 116.48 3gh4 n TYR 345 Ca -0.01 -0.64 -0.02 0.00 -0.16 0.00 0.00 57.90 57.07 3gh4 n TYR 345 Cb 0.29 -0.35 -0.01 0.00 -0.31 0.00 0.00 39.34 38.96 3gh4 n TYR 345 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gh4 n GLY 346 N 0.96 0.55 3.40 2.72 0.00 -0.57 -4.99 105.19 107.25 3gh4 n GLY 346 Ca 0.27 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 3gh4 n GLY 346 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gh4 s LYS 347 N -1.90 2.71 0.39 1.61 -0.14 -0.58 -4.93 119.74 116.90 3gh4 s LYS 347 Ca 0.00 -0.75 -0.15 0.00 -1.36 0.00 0.00 55.97 53.71 3gh4 s LYS 347 Cb 0.00 -2.38 -0.09 0.00 -1.68 0.00 0.00 37.83 33.69 3gh4 s LYS 347 CO 0.00 0.47 0.82 0.15 -0.76 0.00 0.00 175.35 176.03 3gh4 s LYS 348 N -0.34 3.99 -0.17 1.68 1.02 0.19 -2.47 119.74 123.65 3gh4 s LYS 348 Ca 0.03 0.76 -0.06 0.00 0.02 0.00 0.00 55.97 56.71 3gh4 s LYS 348 Cb -0.13 -2.33 -0.04 0.00 -0.52 0.00 0.00 37.83 34.82 3gh4 s LYS 348 CO 0.02 0.02 0.05 0.08 -0.92 0.00 0.00 175.35 174.60 3gh4 s VAL 349 N -2.19 4.65 -0.05 3.17 1.01 -1.26 -0.90 120.40 124.82 3gh4 s VAL 349 Ca 0.56 -0.09 -0.03 0.00 0.00 0.00 0.00 61.98 62.42 3gh4 s VAL 349 Cb -0.10 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 3gh4 s VAL 349 CO 0.21 0.48 0.10 -0.69 0.00 0.00 0.00 175.10 175.21 3gh4 s VAL 350 N 0.21 5.03 -0.06 2.92 1.01 -0.19 -0.62 120.40 128.71 3gh4 s VAL 350 Ca 0.03 -0.14 -0.17 0.00 0.00 0.00 0.00 61.98 61.70 3gh4 s VAL 350 Cb -0.12 -3.25 0.03 0.00 0.00 0.00 0.00 36.38 33.04 3gh4 s VAL 350 CO 0.01 0.47 0.38 -0.83 0.00 0.00 0.00 175.10 175.13 3gh4 s GLY 351 N -1.41 -0.25 0.65 4.51 0.00 -0.74 -1.03 107.32 109.05 3gh4 s GLY 351 Ca 0.20 0.67 -0.18 0.00 0.00 0.00 0.00 44.72 45.41 3gh4 s GLY 351 CO 0.10 0.46 1.25 -0.98 0.00 0.00 0.00 173.10 173.93 3gh4 s TRP 352 N -0.89 2.16 0.55 1.90 0.52 0.69 -0.69 118.94 123.19 3gh4 s TRP 352 Ca -0.10 1.51 -0.21 0.00 0.02 0.00 0.00 56.10 57.32 3gh4 s TRP 352 Cb -0.04 -3.60 -0.05 0.00 -1.15 0.00 0.00 33.47 28.64 3gh4 s TRP 352 CO 0.04 -2.67 1.30 -0.40 0.02 0.00 0.00 176.95 175.24 3gh4 n ASP 353 N -1.95 2.39 -2.02 2.95 5.75 -0.58 -1.04 116.55 122.04 3gh4 n ASP 353 Ca 0.15 0.96 -0.22 0.00 -0.01 0.00 0.00 54.79 55.67 3gh4 n ASP 353 Cb 0.49 -1.55 0.11 0.00 -1.03 0.00 0.00 41.12 39.14 3gh4 n ASP 353 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 3gh4 n PRO 354 N -1.00 2.09 0.27 0.11 -0.04 -1.26 -4.56 135.00 130.61 3gh4 n PRO 354 Ca 0.11 -2.39 0.13 0.00 -0.04 0.00 0.00 63.50 61.31 3gh4 n PRO 354 Cb 0.45 -1.94 0.74 0.00 -0.04 0.00 0.00 33.50 32.71 3gh4 n PRO 354 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3gh4 h SER 355 N 1.16 0.00 0.12 3.54 4.64 -1.34 -1.59 113.55 120.08 3gh4 h SER 355 Ca 0.48 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.80 3gh4 h SER 355 Cb 1.83 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.92 3gh4 h SER 355 CO 1.00 0.11 -0.04 -2.24 -0.87 0.00 0.00 176.83 174.79 3gh4 h ASP 356 N 0.00 0.00 0.66 4.97 2.03 -1.87 -1.99 116.42 120.22 3gh4 h ASP 356 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3gh4 h ASP 356 Cb 0.32 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.82 3gh4 h ASP 356 CO 0.01 0.04 0.00 0.35 -1.03 0.00 0.00 179.24 178.61 3gh4 n THR 357 N -3.69 0.78 -1.98 1.15 -2.24 -0.60 -4.45 114.28 103.25 3gh4 n THR 357 Ca -0.03 0.18 -0.42 0.00 -2.27 0.00 0.00 64.05 61.52 3gh4 n THR 357 Cb 0.13 -0.92 -0.03 0.00 -2.10 0.00 0.00 70.33 67.41 3gh4 n THR 357 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3gh4 s SER 358 N -3.25 6.62 0.32 3.42 0.15 -0.75 -4.86 113.70 115.36 3gh4 s SER 358 Ca 0.08 2.64 0.25 0.00 0.70 0.00 0.00 55.95 59.62 3gh4 s SER 358 Cb 0.11 -2.61 1.14 0.00 -1.71 0.00 0.00 66.02 62.95 3gh4 s SER 358 CO 0.34 -0.76 1.74 0.77 1.20 0.00 0.00 173.24 176.54 3gh4 h SER 359 N 5.80 0.00 0.10 5.45 4.64 -1.87 -1.46 113.55 126.21 3gh4 h SER 359 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3gh4 h SER 359 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3gh4 h SER 359 CO 0.84 0.00 -0.07 0.61 -0.87 0.00 0.00 176.83 177.33 3gh4 n GLY 360 N -0.49 -0.41 3.77 -0.77 0.00 -1.26 -4.92 105.19 101.10 3gh4 n GLY 360 Ca 0.01 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 3gh4 n GLY 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gh4 s ALA 361 N -2.18 2.44 0.43 4.61 0.00 -0.55 -4.77 121.76 121.74 3gh4 s ALA 361 Ca 0.35 0.56 0.06 0.00 0.00 0.00 0.00 51.96 52.93 3gh4 s ALA 361 Cb 0.21 -3.33 -0.06 0.00 0.00 0.00 0.00 23.12 19.94 3gh4 s ALA 361 CO 0.40 -1.32 0.01 0.95 0.00 0.00 0.00 175.76 175.80 3gh4 s THR 362 N -2.32 1.77 -0.53 0.00 -4.23 -1.26 -5.01 115.64 104.05 3gh4 s THR 362 Ca 0.67 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.39 3gh4 s THR 362 Cb -0.21 -2.80 0.21 0.00 1.34 0.00 0.00 72.50 71.04 3gh4 s THR 362 CO 0.42 0.00 1.63 -1.54 -0.54 0.00 0.00 174.62 174.59 3gh4 n SER 363 N -1.03 0.52 0.17 3.99 3.41 -1.26 -1.47 113.62 117.95 3gh4 n SER 363 Ca -0.08 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.30 3gh4 n SER 363 Cb 0.67 -0.75 0.26 0.00 -0.26 0.00 0.00 64.21 64.13 3gh4 n SER 363 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3gh4 h ASP 364 N 0.00 0.00 -4.23 4.04 3.32 -1.89 -3.38 116.42 114.28 3gh4 h ASP 364 Ca 0.00 -0.01 -0.51 0.00 0.02 0.00 0.00 57.03 56.53 3gh4 h ASP 364 Cb 0.27 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.93 3gh4 h ASP 364 CO 0.00 0.00 0.36 -0.44 -1.72 0.00 0.00 179.24 177.44 3gh4 s SER 365 N -5.45 4.87 -0.04 6.45 0.01 -0.54 -4.56 113.70 114.44 3gh4 s SER 365 Ca 0.08 1.99 0.06 0.00 1.31 0.00 0.00 55.95 59.39 3gh4 s SER 365 Cb 0.08 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.76 3gh4 s SER 365 CO 0.64 -1.79 -0.22 -0.69 0.41 0.00 0.00 173.24 171.60 3gh4 s VAL 366 N -2.45 1.79 -0.18 3.43 1.01 0.21 -4.08 120.40 120.13 3gh4 s VAL 366 Ca 0.66 -0.93 -0.15 0.00 0.00 0.00 0.00 61.98 61.56 3gh4 s VAL 366 Cb -0.20 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 3gh4 s VAL 366 CO 0.45 0.50 0.34 -0.22 0.00 0.00 0.00 175.10 176.17 3gh4 s LEU 367 N -0.19 4.20 -0.49 3.92 2.96 -0.59 -1.80 118.68 126.70 3gh4 s LEU 367 Ca -0.01 0.51 -0.17 0.00 -0.22 0.00 0.00 54.13 54.24 3gh4 s LEU 367 Cb -0.12 -2.43 0.07 0.00 0.50 0.00 0.00 46.19 44.21 3gh4 s LEU 367 CO 0.02 0.02 0.51 -1.58 -1.32 0.00 0.00 176.35 174.00 3gh4 s GLN 368 N 0.84 3.05 -0.64 1.98 0.74 0.13 -0.52 119.66 125.24 3gh4 s GLN 368 Ca 0.18 -1.13 -0.22 0.00 0.05 0.00 0.00 55.36 54.23 3gh4 s GLN 368 Cb -0.14 -4.12 0.07 0.00 1.10 0.00 0.00 33.01 29.92 3gh4 s GLN 368 CO 0.06 -1.13 0.93 1.21 -0.55 0.00 0.00 175.29 175.81 3gh4 s ASN 369 N 2.66 6.19 -0.20 6.67 3.04 0.57 -1.53 114.94 132.34 3gh4 s ASN 369 Ca 0.09 -0.96 0.11 0.00 0.04 0.00 0.00 52.86 52.15 3gh4 s ASN 369 Cb -0.22 -2.41 -0.22 0.00 -1.54 0.00 0.00 41.25 36.86 3gh4 s ASN 369 CO 0.09 -1.38 0.05 -2.67 -3.04 0.00 0.00 177.10 170.15 3gh4 n TRP 370 N 7.53 0.16 -0.17 0.43 4.27 -1.26 -1.09 117.44 127.31 3gh4 n TRP 370 Ca -0.04 0.05 -0.08 0.00 -3.89 0.00 0.00 57.50 53.54 3gh4 n TRP 370 Cb 0.45 -1.03 0.01 0.00 -1.36 0.00 0.00 31.31 29.39 3gh4 n TRP 370 CO 0.00 0.00 0.00 1.15 -2.29 0.00 0.00 177.69 176.55 3gh4 h THR 371 N 0.00 1.20 -6.04 -1.67 2.02 -1.88 -3.40 112.91 103.15 3gh4 h THR 371 Ca -0.53 -0.60 -0.42 0.00 0.77 0.00 0.00 66.41 65.63 3gh4 h THR 371 Cb 2.11 0.67 0.06 0.00 -1.74 0.00 0.00 68.15 69.25 3gh4 h THR 371 CO 0.00 0.23 -0.77 0.00 0.37 0.00 0.00 175.52 175.35 3gh4 s SER 373 N -3.82 5.28 0.31 0.00 0.01 -1.26 -4.94 113.70 109.29 3gh4 s SER 373 Ca 0.33 -0.64 0.08 0.00 1.31 0.00 0.00 55.95 57.03 3gh4 s SER 373 Cb -0.16 -0.50 0.81 0.00 0.21 0.00 0.00 66.02 66.38 3gh4 s SER 373 CO 0.79 -0.76 1.76 0.00 0.41 0.00 0.00 173.24 175.43 3gh4 h ALA 374 N 0.80 1.75 0.00 1.44 0.00 -1.95 -2.46 119.26 118.84 3gh4 h ALA 374 Ca -0.40 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3gh4 h ALA 374 Cb 1.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3gh4 h ALA 374 CO 0.51 -0.16 -0.90 -1.13 0.00 0.00 0.00 179.25 177.58 3gh4 n SER 375 N -4.80 0.78 -4.75 0.00 3.41 -1.26 -4.92 113.62 102.08 3gh4 n SER 375 Ca 0.25 -0.67 -0.41 0.00 -0.26 0.00 0.00 58.87 57.78 3gh4 n SER 375 Cb 0.65 0.80 -0.02 0.00 -0.26 0.00 0.00 64.21 65.39 3gh4 n SER 375 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3gh4 s THR 376 N -3.04 2.25 -0.18 6.66 2.01 -0.93 -2.33 115.64 120.07 3gh4 s THR 376 Ca 0.08 0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.29 3gh4 s THR 376 Cb 0.16 -3.13 0.00 0.00 0.01 0.00 0.00 72.50 69.54 3gh4 s THR 376 CO 0.82 0.04 0.00 0.61 -0.69 0.00 0.00 174.62 175.39 3gh4 n GLY 377 N 1.99 0.52 0.15 4.40 0.00 -1.26 -4.85 105.19 106.14 3gh4 n GLY 377 Ca 0.07 -0.33 -0.06 0.00 0.00 0.00 0.00 46.02 45.70 3gh4 n GLY 377 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3gh4 h THR 378 N 0.00 0.85 0.13 2.61 2.02 -1.82 -0.58 112.91 116.12 3gh4 h THR 378 Ca -0.04 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 3gh4 h THR 378 Cb 0.25 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 3gh4 h THR 378 CO 0.05 0.04 -0.06 0.00 0.37 0.00 0.00 175.52 175.92 3gh4 h ALA 379 N 1.25 -0.17 -0.62 6.16 0.00 -1.88 -1.88 119.26 122.12 3gh4 h ALA 379 Ca 0.16 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.11 3gh4 h ALA 379 Cb 0.17 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 3gh4 h ALA 379 CO -0.20 -0.58 0.24 0.00 0.00 0.00 0.00 179.25 178.71 3gh4 h ALA 380 N 0.67 0.80 -0.37 0.00 0.00 -1.74 -0.68 119.26 117.93 3gh4 h ALA 380 Ca -0.02 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3gh4 h ALA 380 Cb 0.16 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3gh4 h ALA 380 CO 0.03 -0.17 0.21 0.87 0.00 0.00 0.00 179.25 180.19 3gh4 h LYS 381 N 0.43 0.51 -0.27 0.00 1.57 -0.94 -0.05 116.57 117.82 3gh4 h LYS 381 Ca 0.31 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 59.00 3gh4 h LYS 381 Cb 0.37 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 3gh4 h LYS 381 CO -0.30 0.40 -0.00 0.00 -0.57 0.00 0.00 179.45 178.98 3gh4 h ALA 382 N 1.08 1.49 -0.01 3.86 0.00 -0.81 -2.77 119.26 122.09 3gh4 h ALA 382 Ca 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3gh4 h ALA 382 Cb 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3gh4 h ALA 382 CO -0.02 0.37 -0.14 1.63 0.00 0.00 0.00 179.25 181.09 3gh4 n LYS 383 N -4.32 1.27 -1.66 0.00 5.02 -0.31 -4.95 118.16 113.21 3gh4 n LYS 383 Ca 0.01 -0.76 -0.07 0.00 -2.02 0.00 0.00 58.31 55.47 3gh4 n LYS 383 Cb 0.22 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.73 3gh4 n LYS 383 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gh4 n GLY 384 N 1.27 0.49 3.73 0.72 0.00 -0.48 -4.13 105.19 106.79 3gh4 n GLY 384 Ca 0.15 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 3gh4 n GLY 384 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3gh4 s MET 385 N -3.44 4.58 0.58 1.61 -1.94 -0.15 -4.84 119.30 115.69 3gh4 s MET 385 Ca 0.00 1.24 -0.20 0.00 -1.71 0.00 0.00 55.69 55.02 3gh4 s MET 385 Cb 0.00 -3.38 -0.04 0.00 2.01 0.00 0.00 34.83 33.42 3gh4 s MET 385 CO 0.00 0.21 1.29 1.63 -0.01 0.00 0.00 175.02 178.15 3gh4 n LYS 386 N 2.95 1.44 -4.81 2.03 5.02 -1.26 -4.55 118.16 118.98 3gh4 n LYS 386 Ca 0.00 0.54 -0.28 0.00 -2.02 0.00 0.00 58.31 56.56 3gh4 n LYS 386 Cb 0.50 -2.51 -0.17 0.00 -0.02 0.00 0.00 35.03 32.83 3gh4 n LYS 386 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3gh4 s VAL 387 N -1.34 1.51 -0.19 -0.18 1.01 -0.00 -1.54 120.40 119.68 3gh4 s VAL 387 Ca 0.75 -0.70 -0.07 0.00 0.00 0.00 0.00 61.98 61.97 3gh4 s VAL 387 Cb -0.41 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 3gh4 s VAL 387 CO 0.46 0.44 0.05 -0.63 0.00 0.00 0.00 175.10 175.43 3gh4 s ILE 388 N 0.57 4.61 -0.14 2.22 1.01 0.32 -0.14 121.20 129.65 3gh4 s ILE 388 Ca -0.16 -0.09 -0.09 0.00 0.00 0.00 0.00 60.65 60.31 3gh4 s ILE 388 Cb -0.17 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 3gh4 s ILE 388 CO 0.05 0.44 0.15 0.68 0.00 0.00 0.00 174.94 176.27 3gh4 s VAL 389 N 0.58 5.45 -0.40 2.92 -7.23 0.14 -0.32 120.40 121.54 3gh4 s VAL 389 Ca 0.03 0.24 0.08 0.00 -1.81 0.00 0.00 61.98 60.52 3gh4 s VAL 389 Cb -0.13 -3.45 0.25 0.00 0.56 0.00 0.00 36.38 33.61 3gh4 s VAL 389 CO 0.01 0.54 0.52 -1.20 -0.31 0.00 0.00 175.10 174.67 3gh4 n SER 390 N 2.58 0.26 -3.52 4.85 7.64 -0.25 -1.51 113.62 123.68 3gh4 n SER 390 Ca -0.18 -2.71 -0.27 0.00 1.01 0.00 0.00 58.87 56.72 3gh4 n SER 390 Cb 0.54 -0.64 0.22 0.00 -1.01 0.00 0.00 64.21 63.32 3gh4 n SER 390 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3gh4 n PRO 391 N 1.42 -2.56 -0.33 1.43 -0.04 -1.26 -4.32 135.00 129.34 3gh4 n PRO 391 Ca 0.21 -1.65 0.17 0.00 -0.04 0.00 0.00 63.50 62.20 3gh4 n PRO 391 Cb 0.53 -1.43 0.41 0.00 -0.04 0.00 0.00 33.50 32.96 3gh4 n PRO 391 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gh4 h ALA 392 N -2.48 1.90 0.00 0.55 0.00 -1.92 -0.09 119.26 117.21 3gh4 h ALA 392 Ca -0.38 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3gh4 h ALA 392 Cb 1.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3gh4 h ALA 392 CO 0.25 -0.30 0.00 -0.91 0.00 0.00 0.00 179.25 178.29 3gh4 h ASN 393 N 0.59 0.00 -0.02 0.00 4.21 -1.90 -1.00 115.58 117.46 3gh4 h ASN 393 Ca 0.59 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.10 3gh4 h ASN 393 Cb 1.16 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.36 3gh4 h ASN 393 CO -0.36 0.00 -0.06 0.00 -1.29 0.00 0.00 177.43 175.72 3gh4 n ALA 394 N -1.85 2.60 -2.80 -0.83 0.00 -0.07 -4.34 120.51 113.22 3gh4 n ALA 394 Ca -0.01 -0.59 -0.43 0.00 0.00 0.00 0.00 53.44 52.41 3gh4 n ALA 394 Cb 0.09 -0.48 -0.01 0.00 0.00 0.00 0.00 19.45 19.06 3gh4 n ALA 394 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3gh4 s TYR 395 N -1.29 3.14 -1.00 0.00 1.51 -0.38 -0.66 117.35 118.67 3gh4 s TYR 395 Ca 0.15 -1.74 0.22 0.00 -1.01 0.00 0.00 57.07 54.70 3gh4 s TYR 395 Cb 0.12 -4.47 0.96 0.00 -0.11 0.00 0.00 41.96 38.45 3gh4 s TYR 395 CO 0.21 -1.58 1.72 1.28 -1.11 0.00 0.00 175.55 176.07 3gh4 n LEU 396 N 6.90 0.01 0.06 -1.29 4.77 -1.00 -1.95 117.00 124.49 3gh4 n LEU 396 Ca 0.38 0.50 0.12 0.00 -0.03 0.00 0.00 56.01 56.98 3gh4 n LEU 396 Cb 0.46 -0.50 0.47 0.00 -2.33 0.00 0.00 43.42 41.51 3gh4 n LEU 396 CO 0.65 -0.12 0.87 -0.90 -1.33 0.00 0.00 177.39 176.57 3gh4 n ASP 397 N -1.51 0.39 -4.77 -1.43 5.75 -1.25 -4.77 116.55 108.97 3gh4 n ASP 397 Ca 0.05 0.56 -0.40 0.00 -0.01 0.00 0.00 54.79 54.99 3gh4 n ASP 397 Cb 0.26 -0.65 -0.01 0.00 -1.03 0.00 0.00 41.12 39.69 3gh4 n ASP 397 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 3gh4 s MET 398 N -3.10 4.14 0.33 0.11 -1.94 -0.82 -1.51 119.30 116.50 3gh4 s MET 398 Ca 0.10 2.16 -0.26 0.00 -1.71 0.00 0.00 55.69 55.98 3gh4 s MET 398 Cb 0.13 -2.88 -0.14 0.00 2.01 0.00 0.00 34.83 33.95 3gh4 s MET 398 CO 0.47 -0.35 0.73 1.63 -0.01 0.00 0.00 175.02 177.49 3gh4 n LYS 399 N 0.41 0.78 -0.22 2.03 5.02 0.73 -4.37 118.16 122.54 3gh4 n LYS 399 Ca 0.02 0.28 -0.07 0.00 -2.02 0.00 0.00 58.31 56.52 3gh4 n LYS 399 Cb 0.43 -1.55 0.03 0.00 -0.02 0.00 0.00 35.03 33.92 3gh4 n LYS 399 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 3gh4 h TYR 400 N 1.32 0.90 -4.02 2.13 0.05 -1.86 0.19 116.97 115.68 3gh4 h TYR 400 Ca -0.38 -0.06 -0.12 0.00 0.05 0.00 0.00 58.73 58.23 3gh4 h TYR 400 Cb 1.38 -0.27 -0.14 0.00 1.01 0.00 0.00 36.73 38.71 3gh4 h TYR 400 CO 0.42 0.70 -0.44 0.71 -1.05 0.00 0.00 178.16 178.50 3gh4 s TYR 401 N -5.62 0.45 0.35 4.88 2.02 -1.26 -3.64 117.35 114.53 3gh4 s TYR 401 Ca -0.13 -0.86 0.16 0.00 -0.37 0.00 0.00 57.07 55.87 3gh4 s TYR 401 Cb 0.13 -0.19 1.13 0.00 -0.40 0.00 0.00 41.96 42.63 3gh4 s TYR 401 CO 0.79 -0.60 1.65 1.03 -1.57 0.00 0.00 175.55 176.86 3gh4 h SER 402 N 2.73 0.49 -0.51 2.29 0.87 -2.00 -1.10 113.55 116.32 3gh4 h SER 402 Ca -0.33 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 3gh4 h SER 402 Cb 1.21 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 3gh4 h SER 402 CO 0.54 -0.18 0.00 -0.90 -0.53 0.00 0.00 176.83 175.77 3gh4 n ASP 403 N -5.08 3.03 -4.71 6.23 3.85 -1.26 -4.96 116.55 113.65 3gh4 n ASP 403 Ca 0.33 -2.09 -0.43 0.00 -0.71 0.00 0.00 54.79 51.89 3gh4 n ASP 403 Cb 1.03 -0.39 -0.01 0.00 -1.35 0.00 0.00 41.12 40.40 3gh4 n ASP 403 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 3gh4 n SER 404 N 0.96 3.12 0.21 -1.12 7.64 -0.42 -4.88 113.62 119.12 3gh4 n SER 404 Ca 0.18 1.19 0.14 0.00 1.01 0.00 0.00 58.87 61.39 3gh4 n SER 404 Cb 0.51 -1.51 0.48 0.00 -1.01 0.00 0.00 64.21 62.68 3gh4 n SER 404 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3gh4 h PRO 405 N 3.34 0.00 -4.48 1.43 0.13 -1.93 -3.45 132.00 127.04 3gh4 h PRO 405 Ca -0.47 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.46 3gh4 h PRO 405 Cb 1.26 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.25 3gh4 h PRO 405 CO 0.68 0.00 -0.65 0.96 -0.23 0.00 0.00 178.00 178.77 3gh4 s ILE 406 N -3.41 0.16 0.00 -3.56 -4.36 -1.26 -5.15 121.20 103.63 3gh4 s ILE 406 Ca 0.04 -1.93 0.00 0.00 -0.26 0.00 0.00 60.65 58.51 3gh4 s ILE 406 Cb 0.08 -2.09 0.00 0.00 1.25 0.00 0.00 42.46 41.70 3gh4 s ILE 406 CO 0.55 -0.43 0.00 0.61 0.24 0.00 0.00 174.94 175.91 3gh4 n GLY 407 N -0.13 2.34 2.18 6.27 0.00 -1.26 -4.48 105.19 110.11 3gh4 n GLY 407 Ca -0.05 -1.97 -0.14 0.00 0.00 0.00 0.00 46.02 43.86 3gh4 n GLY 407 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gh4 n LEU 408 N 0.00 0.00 -0.54 0.99 4.77 -0.57 -4.62 117.00 117.02 3gh4 n LEU 408 Ca 0.00 -1.58 -0.00 0.00 -0.03 0.00 0.00 56.01 54.40 3gh4 n LEU 408 Cb 0.00 -0.08 -0.00 0.00 -2.33 0.00 0.00 43.42 41.01 3gh4 n LEU 408 CO 0.00 -0.49 0.25 0.00 -1.33 0.00 0.00 177.39 175.82 3gh4 n GLN 409 N -1.35 0.00 0.00 3.23 10.64 -1.26 -0.19 117.38 128.45 3gh4 n GLN 409 Ca 0.01 -0.49 0.09 0.00 -1.83 0.00 0.00 57.00 54.78 3gh4 n GLN 409 Cb 0.35 -0.18 0.42 0.00 -0.86 0.00 0.00 30.24 29.96 3gh4 n GLN 409 CO 0.00 0.00 0.00 -2.67 -1.83 0.00 0.00 177.06 172.56 3gh4 n TRP 410 N 0.01 0.00 -1.12 2.61 4.27 -1.26 -0.88 117.44 121.08 3gh4 n TRP 410 Ca -0.01 0.00 0.08 0.00 -3.89 0.00 0.00 57.50 53.68 3gh4 n TRP 410 Cb 0.61 -0.44 0.20 0.00 -1.36 0.00 0.00 31.31 30.31 3gh4 n TRP 410 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 3gh4 n ARG 411 N -1.44 1.97 0.00 -2.67 1.74 -1.26 -5.11 116.66 109.89 3gh4 n ARG 411 Ca 0.06 -2.79 0.00 0.00 -0.77 0.00 0.00 57.85 54.34 3gh4 n ARG 411 Cb 0.20 -1.67 0.00 0.00 -1.02 0.00 0.00 32.46 29.97 3gh4 n ARG 411 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gh4 n GLY 412 N -1.04 -1.65 3.88 -0.13 0.00 -0.06 -4.88 105.19 101.32 3gh4 n GLY 412 Ca 0.20 -1.44 -0.33 0.00 0.00 0.00 0.00 46.02 44.45 3gh4 n GLY 412 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gh4 s PHE 413 N 0.00 3.49 -0.35 1.61 0.08 -1.26 -4.44 117.98 117.11 3gh4 s PHE 413 Ca 0.00 0.32 0.01 0.00 0.12 0.00 0.00 56.93 57.37 3gh4 s PHE 413 Cb 0.00 -1.80 0.11 0.00 -0.57 0.00 0.00 43.02 40.76 3gh4 s PHE 413 CO 0.00 0.62 0.14 0.08 -0.10 0.00 0.00 175.22 175.96 3gh4 s VAL 414 N -1.32 1.18 0.43 -0.44 1.01 0.67 -5.00 120.40 116.94 3gh4 s VAL 414 Ca 0.27 -1.85 -0.03 0.00 0.00 0.00 0.00 61.98 60.37 3gh4 s VAL 414 Cb -0.13 -1.87 0.09 0.00 0.00 0.00 0.00 36.38 34.47 3gh4 s VAL 414 CO 0.19 -0.74 0.59 -0.46 0.00 0.00 0.00 175.10 174.68 3gh4 n ASN 415 N 4.38 0.48 0.02 3.32 2.04 -1.24 -4.04 115.26 120.23 3gh4 n ASN 415 Ca 0.02 -1.48 -0.01 0.00 -0.44 0.00 0.00 54.58 52.67 3gh4 n ASN 415 Cb 0.40 -0.41 0.27 0.00 -2.53 0.00 0.00 39.78 37.50 3gh4 n ASN 415 CO 0.00 0.00 0.00 0.74 -0.44 0.00 0.00 177.26 177.56 3gh4 h THR 416 N -0.82 1.23 -0.03 5.53 2.02 -1.95 -1.46 112.91 117.43 3gh4 h THR 416 Ca -0.19 -1.00 -0.01 0.00 0.77 0.00 0.00 66.41 65.98 3gh4 h THR 416 Cb 0.64 1.16 -0.00 0.00 -1.74 0.00 0.00 68.15 68.21 3gh4 h THR 416 CO 0.18 0.32 -0.00 -1.13 0.37 0.00 0.00 175.52 175.26 3gh4 h ASN 417 N 0.43 0.05 -0.61 4.18 -1.24 -1.94 -2.62 115.58 113.83 3gh4 h ASN 417 Ca 0.08 -0.35 0.03 0.00 0.71 0.00 0.00 56.30 56.77 3gh4 h ASN 417 Cb 0.49 -0.01 -0.03 0.00 0.73 0.00 0.00 38.32 39.49 3gh4 h ASN 417 CO 0.03 0.39 0.40 -0.09 -1.29 0.00 0.00 177.43 176.87 3gh4 h ARG 418 N -0.28 0.71 0.00 6.67 2.43 -1.88 0.16 114.38 122.20 3gh4 h ARG 418 Ca 0.01 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3gh4 h ARG 418 Cb 0.36 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 3gh4 h ARG 418 CO 0.00 0.47 0.00 0.00 -1.51 0.00 0.00 179.97 178.93 3gh4 h ALA 419 N 1.64 1.00 0.01 2.80 0.00 -1.13 -3.23 119.26 120.34 3gh4 h ALA 419 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.74 3gh4 h ALA 419 Cb 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 3gh4 h ALA 419 CO -0.06 0.00 -2.41 0.98 0.00 0.00 0.00 179.25 177.76 3gh4 n TYR 420 N -2.50 0.15 -1.85 0.00 9.36 -0.56 -3.42 117.16 118.33 3gh4 n TYR 420 Ca 0.02 0.04 -0.42 0.00 3.32 0.00 0.00 57.90 60.86 3gh4 n TYR 420 Cb 0.27 -1.02 -0.00 0.00 -0.63 0.00 0.00 39.34 37.96 3gh4 n TYR 420 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 3gh4 n ASN 421 N -3.67 4.91 -3.69 2.98 3.02 -0.06 -4.81 115.26 113.94 3gh4 n ASN 421 Ca -0.47 -2.89 -0.06 0.00 -0.03 0.00 0.00 54.58 51.12 3gh4 n ASN 421 Cb 0.95 -1.59 -0.01 0.00 -0.61 0.00 0.00 39.78 38.52 3gh4 n ASN 421 CO 0.00 0.00 0.00 -1.66 -2.62 0.00 0.00 177.26 172.98 3gh4 s TRP 422 N 2.16 -0.12 0.01 3.10 1.48 -1.26 -4.96 118.94 119.34 3gh4 s TRP 422 Ca 0.48 -0.33 -0.00 0.00 -1.06 0.00 0.00 56.10 55.18 3gh4 s TRP 422 Cb 0.14 0.71 -0.01 0.00 -1.16 0.00 0.00 33.47 33.15 3gh4 s TRP 422 CO -0.06 -1.19 -0.01 0.34 -4.06 0.00 0.00 176.95 171.98 3gh4 s ASP 423 N -2.96 0.11 0.43 -2.66 2.15 -1.26 -4.98 116.67 107.50 3gh4 s ASP 423 Ca 0.12 -0.23 0.16 0.00 0.43 0.00 0.00 52.55 53.04 3gh4 s ASP 423 Cb -0.05 0.06 1.08 0.00 -0.30 0.00 0.00 42.92 43.71 3gh4 s ASP 423 CO 0.07 -0.15 1.92 -0.65 -0.17 0.00 0.00 175.17 176.19 3gh4 h PRO 424 N 5.40 0.38 0.00 4.34 0.11 -1.97 0.28 132.00 140.53 3gh4 h PRO 424 Ca -0.28 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3gh4 h PRO 424 Cb 1.21 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3gh4 h PRO 424 CO 0.46 0.25 0.00 1.79 -0.21 0.00 0.00 178.00 180.29 3gh4 h THR 425 N 0.39 0.00 -0.67 -1.15 1.35 -1.97 -1.37 112.91 109.49 3gh4 h THR 425 Ca 0.37 -0.20 -0.06 0.00 -0.55 0.00 0.00 66.41 65.97 3gh4 h THR 425 Cb 0.87 1.09 -0.03 0.00 -1.73 0.00 0.00 68.15 68.35 3gh4 h THR 425 CO -0.11 0.00 0.19 0.44 -0.25 0.00 0.00 175.52 175.79 3gh4 h ASP 426 N 0.00 0.97 0.26 5.36 3.32 -1.35 -3.33 116.42 121.66 3gh4 h ASP 426 Ca 0.00 -0.18 -0.24 0.00 0.02 0.00 0.00 57.03 56.63 3gh4 h ASP 426 Cb 0.21 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 39.51 3gh4 h ASP 426 CO 0.00 0.92 -0.97 0.00 -1.72 0.00 0.00 179.24 177.47 3gh4 s ILE 428 N -3.27 -0.01 0.02 0.00 2.07 -1.22 -4.51 121.20 114.28 3gh4 s ILE 428 Ca -0.07 0.03 0.03 0.00 -1.41 0.00 0.00 60.65 59.22 3gh4 s ILE 428 Cb 0.08 -0.50 -0.04 0.00 0.13 0.00 0.00 42.46 42.14 3gh4 s ILE 428 CO 0.88 0.01 -0.01 -0.54 -1.91 0.00 0.00 174.94 173.37 3gh4 s LYS 429 N 0.46 2.69 -0.64 3.50 -0.14 -1.26 -4.53 119.74 119.81 3gh4 s LYS 429 Ca -0.02 -0.68 0.00 0.00 -1.36 0.00 0.00 55.97 53.91 3gh4 s LYS 429 Cb -0.04 -2.61 0.00 0.00 -1.68 0.00 0.00 37.83 33.50 3gh4 s LYS 429 CO -0.02 0.60 0.00 0.41 -0.76 0.00 0.00 175.35 175.58 3gh4 n GLY 430 N 1.25 0.83 3.78 -3.33 0.00 -1.26 -5.03 105.19 101.44 3gh4 n GLY 430 Ca -0.14 -0.78 -0.22 0.00 0.00 0.00 0.00 46.02 44.88 3gh4 n GLY 430 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gh4 s ALA 431 N -2.23 3.59 -0.73 4.61 0.00 -1.26 -4.95 121.76 120.80 3gh4 s ALA 431 Ca 0.00 -1.64 -0.21 0.00 0.00 0.00 0.00 51.96 50.11 3gh4 s ALA 431 Cb 0.00 -1.03 0.10 0.00 0.00 0.00 0.00 23.12 22.19 3gh4 s ALA 431 CO 0.00 0.11 0.96 1.21 0.00 0.00 0.00 175.76 178.04 3gh4 s ASN 432 N -3.87 6.32 -0.45 0.00 3.04 -1.26 -5.00 114.94 113.72 3gh4 s ASN 432 Ca 0.37 -1.42 -0.24 0.00 0.04 0.00 0.00 52.86 51.61 3gh4 s ASN 432 Cb -0.06 -2.39 0.03 0.00 -1.54 0.00 0.00 41.25 37.29 3gh4 s ASN 432 CO 0.24 -1.26 0.85 -0.63 -3.04 0.00 0.00 177.10 173.27 3gh4 s ILE 433 N 3.34 4.57 0.15 -5.21 1.01 -1.26 -0.82 121.20 122.97 3gh4 s ILE 433 Ca 0.23 0.61 -0.07 0.00 0.00 0.00 0.00 60.65 61.42 3gh4 s ILE 433 Cb -0.14 -4.37 -0.11 0.00 0.01 0.00 0.00 42.46 37.84 3gh4 s ILE 433 CO 0.03 -0.76 1.40 0.22 0.00 0.00 0.00 174.94 175.83 3gh4 h TYR 434 N 9.00 0.85 0.00 3.97 -0.00 -0.89 -3.47 116.97 126.43 3gh4 h TYR 434 Ca -0.24 -0.35 0.00 0.00 -0.00 0.00 0.00 58.73 58.14 3gh4 h TYR 434 Cb 1.08 -0.14 0.00 0.00 -0.00 0.00 0.00 36.73 37.67 3gh4 h TYR 434 CO 0.83 1.14 0.00 0.41 -0.00 0.00 0.00 178.16 180.54 3gh4 n GLY 435 N 0.52 -0.58 3.21 1.82 0.00 -1.16 -1.57 105.19 107.44 3gh4 n GLY 435 Ca -0.05 -0.65 -0.24 0.00 0.00 0.00 0.00 46.02 45.07 3gh4 n GLY 435 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gh4 s VAL 436 N -3.96 1.49 -0.06 1.61 1.01 -0.22 -0.68 120.40 119.58 3gh4 s VAL 436 Ca 0.00 -1.04 -0.01 0.00 0.00 0.00 0.00 61.98 60.93 3gh4 s VAL 436 Cb 0.00 -1.29 0.03 0.00 0.00 0.00 0.00 36.38 35.12 3gh4 s VAL 436 CO 0.00 0.22 -0.00 -0.70 0.00 0.00 0.00 175.10 174.62 3gh4 s GLU 437 N -0.96 0.56 0.03 2.72 2.12 -0.57 -0.84 118.70 121.77 3gh4 s GLU 437 Ca 0.06 0.09 -0.30 0.00 0.36 0.00 0.00 54.97 55.18 3gh4 s GLU 437 Cb -0.08 -0.86 -0.04 0.00 0.26 0.00 0.00 34.13 33.41 3gh4 s GLU 437 CO 0.01 -0.25 1.03 -1.12 -0.54 0.00 0.00 175.26 174.39 3gh4 s SER 438 N 1.72 7.31 -0.22 -1.70 0.01 -0.24 -4.45 113.70 116.12 3gh4 s SER 438 Ca 0.01 1.77 -0.03 0.00 1.31 0.00 0.00 55.95 59.01 3gh4 s SER 438 Cb -0.13 -2.58 -0.00 0.00 0.21 0.00 0.00 66.02 63.53 3gh4 s SER 438 CO -0.04 -0.29 -0.05 0.42 0.41 0.00 0.00 173.24 173.69 3gh4 s THR 439 N 0.88 3.24 -0.74 1.44 -4.23 0.17 -0.42 115.64 115.97 3gh4 s THR 439 Ca 0.53 -0.60 -0.07 0.00 -1.18 0.00 0.00 61.69 60.37 3gh4 s THR 439 Cb -0.24 -2.49 0.19 0.00 1.34 0.00 0.00 72.50 71.30 3gh4 s THR 439 CO 0.29 0.39 0.62 -0.22 -0.54 0.00 0.00 174.62 175.16 3gh4 s LEU 440 N 1.45 5.85 0.60 4.79 2.96 0.07 -2.38 118.68 132.03 3gh4 s LEU 440 Ca 0.05 -2.92 -0.17 0.00 -0.22 0.00 0.00 54.13 50.87 3gh4 s LEU 440 Cb -0.15 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 3gh4 s LEU 440 CO -0.04 -0.42 1.12 0.26 -1.32 0.00 0.00 176.35 175.95 3gh4 s TRP 441 N -0.17 2.65 -0.12 5.38 0.52 -1.26 -1.53 118.94 124.41 3gh4 s TRP 441 Ca 0.19 1.55 0.16 0.00 0.02 0.00 0.00 56.10 58.01 3gh4 s TRP 441 Cb -0.15 -3.23 0.37 0.00 -1.15 0.00 0.00 33.47 29.32 3gh4 s TRP 441 CO -0.06 -1.63 1.18 0.25 0.02 0.00 0.00 176.95 176.71 3gh4 n THR 442 N -1.86 1.32 -0.34 2.01 -2.24 -1.26 -4.75 114.28 107.16 3gh4 n THR 442 Ca 0.11 -2.18 0.20 0.00 -2.27 0.00 0.00 64.05 59.90 3gh4 n THR 442 Cb 0.51 0.20 0.43 0.00 -2.10 0.00 0.00 70.33 69.37 3gh4 n THR 442 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3gh4 h GLU 443 N 0.79 0.49 -0.04 -0.78 3.07 -1.94 -2.90 114.58 113.28 3gh4 h GLU 443 Ca -0.07 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.76 3gh4 h GLU 443 Cb 1.31 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 3gh4 h GLU 443 CO 0.03 0.33 0.00 0.25 -1.40 0.00 0.00 179.01 178.22 3gh4 n THR 444 N -4.83 0.93 -4.09 1.13 -2.24 -1.26 -4.96 114.28 98.96 3gh4 n THR 444 Ca 0.27 -0.96 -0.35 0.00 -2.27 0.00 0.00 64.05 60.74 3gh4 n THR 444 Cb 0.81 0.54 -0.13 0.00 -2.10 0.00 0.00 70.33 69.45 3gh4 n THR 444 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3gh4 s PHE 445 N -0.93 2.99 -0.10 4.78 2.99 -1.09 -4.64 117.98 121.97 3gh4 s PHE 445 Ca 0.03 -0.64 0.02 0.00 0.00 0.00 0.00 56.93 56.34 3gh4 s PHE 445 Cb 0.01 -2.07 -0.08 0.00 0.00 0.00 0.00 43.02 40.89 3gh4 s PHE 445 CO 0.02 -0.34 -0.06 0.28 -0.00 0.00 0.00 175.22 175.12 3gh4 n VAL 446 N 4.36 0.58 -4.27 -0.44 0.31 -1.26 -4.63 118.33 112.98 3gh4 n VAL 446 Ca -0.18 -0.26 -0.24 0.00 -0.01 0.00 0.00 64.34 63.66 3gh4 n VAL 446 Cb 0.52 -0.84 -0.08 0.00 -0.91 0.00 0.00 33.84 32.53 3gh4 n VAL 446 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3gh4 s THR 447 N -2.20 2.98 0.25 2.52 -4.23 -1.26 -4.94 115.64 108.77 3gh4 s THR 447 Ca -0.11 -1.90 -0.04 0.00 -1.18 0.00 0.00 61.69 58.46 3gh4 s THR 447 Cb 0.03 -2.84 0.23 0.00 1.34 0.00 0.00 72.50 71.27 3gh4 s THR 447 CO 0.26 -0.26 1.85 -0.61 -0.54 0.00 0.00 174.62 175.32 3gh4 h GLN 448 N 1.78 0.95 -0.92 3.99 4.15 -1.98 -1.76 115.11 121.32 3gh4 h GLN 448 Ca -0.43 -0.06 0.09 0.00 0.77 0.00 0.00 58.65 59.02 3gh4 h GLN 448 Cb 1.25 -0.21 -0.07 0.00 0.21 0.00 0.00 27.48 28.66 3gh4 h GLN 448 CO 0.63 0.63 0.59 -0.44 -1.93 0.00 0.00 178.83 178.32 3gh4 h ASP 449 N 0.98 0.87 -0.51 -0.69 5.19 -1.95 -0.67 116.42 119.64 3gh4 h ASP 449 Ca 0.41 0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.82 3gh4 h ASP 449 Cb 0.25 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.57 3gh4 h ASP 449 CO -0.20 0.53 0.24 0.45 -3.12 0.00 0.00 179.24 177.14 3gh4 h HIS 450 N 0.97 0.75 -0.07 4.55 3.86 -1.69 -0.82 115.15 122.71 3gh4 h HIS 450 Ca 0.42 -0.04 0.02 0.00 -1.16 0.00 0.00 60.37 59.60 3gh4 h HIS 450 Cb 0.33 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.55 3gh4 h HIS 450 CO -0.00 0.59 -0.04 -0.07 0.86 0.00 0.00 177.93 179.27 3gh4 h LEU 451 N 0.69 -0.12 -0.60 2.43 3.38 -1.02 -2.76 115.31 117.31 3gh4 h LEU 451 Ca 0.18 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.22 3gh4 h LEU 451 Cb 0.13 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 3gh4 h LEU 451 CO -0.02 -0.05 0.33 0.44 0.09 0.00 0.00 178.44 179.23 3gh4 h ASP 452 N -0.03 0.50 -0.94 -0.43 3.45 -0.96 -0.85 116.42 117.14 3gh4 h ASP 452 Ca 0.04 0.02 0.03 0.00 0.43 0.00 0.00 57.03 57.55 3gh4 h ASP 452 Cb 0.09 -0.08 -0.05 0.00 -0.56 0.00 0.00 39.33 38.73 3gh4 h ASP 452 CO -0.09 0.34 0.62 0.22 -1.57 0.00 0.00 179.24 178.75 3gh4 h TYR 453 N 0.63 1.16 0.09 4.55 3.20 -0.79 -0.36 116.97 125.45 3gh4 h TYR 453 Ca 0.26 0.03 -0.30 0.00 3.14 0.00 0.00 58.73 61.86 3gh4 h TYR 453 Cb 0.13 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 37.99 3gh4 h TYR 453 CO -0.08 0.68 -1.53 0.52 -1.64 0.00 0.00 178.16 176.10 3gh4 h MET 454 N 1.20 0.19 0.00 1.82 2.86 -1.26 -3.26 114.93 116.48 3gh4 h MET 454 Ca 0.37 -0.32 -0.10 0.00 -2.06 0.00 0.00 59.70 57.59 3gh4 h MET 454 Cb -0.02 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 3gh4 h MET 454 CO -0.12 1.02 -0.56 -0.07 1.06 0.00 0.00 176.91 178.24 3gh4 h LEU 455 N 0.05 0.00 -7.87 1.22 3.38 -1.07 -3.37 115.31 107.65 3gh4 h LEU 455 Ca -0.24 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.14 3gh4 h LEU 455 Cb 1.99 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 42.38 3gh4 h LEU 455 CO 0.14 0.44 -0.83 -0.31 0.09 0.00 0.00 178.44 177.98 3gh4 s TYR 456 N -2.99 2.05 -2.21 1.13 1.51 -0.15 0.45 117.35 117.14 3gh4 s TYR 456 Ca 0.03 -1.13 0.18 0.00 -1.01 0.00 0.00 57.07 55.15 3gh4 s TYR 456 Cb 0.07 -1.53 0.58 0.00 -0.11 0.00 0.00 41.96 40.98 3gh4 s TYR 456 CO 0.75 -0.63 1.45 -0.35 -1.11 0.00 0.00 175.55 175.65 3gh4 n PRO 457 N 4.76 1.89 -0.28 -1.71 -0.04 -1.26 -1.28 135.00 137.08 3gh4 n PRO 457 Ca -0.16 -1.35 -0.00 0.00 -0.04 0.00 0.00 63.50 61.94 3gh4 n PRO 457 Cb 0.50 -1.38 0.12 0.00 -0.04 0.00 0.00 33.50 32.70 3gh4 n PRO 457 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3gh4 h LYS 458 N 2.52 0.84 -0.24 0.54 1.57 -1.66 -1.47 116.57 118.67 3gh4 h LYS 458 Ca 0.00 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3gh4 h LYS 458 Cb 0.56 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 3gh4 h LYS 458 CO 0.00 0.55 0.11 1.25 -0.57 0.00 0.00 179.45 180.79 3gh4 h LEU 459 N 0.86 0.28 -1.05 2.94 5.85 -0.24 -2.01 115.31 121.94 3gh4 h LEU 459 Ca 0.35 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 59.05 3gh4 h LEU 459 Cb 0.18 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 3gh4 h LEU 459 CO -0.18 0.25 0.53 -0.07 -0.34 0.00 0.00 178.44 178.63 3gh4 h LEU 460 N 0.32 1.05 0.19 2.25 3.38 -1.44 0.16 115.31 121.23 3gh4 h LEU 460 Ca 0.08 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3gh4 h LEU 460 Cb 0.04 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.53 3gh4 h LEU 460 CO -0.01 0.80 -0.09 0.28 0.09 0.00 0.00 178.44 179.50 3gh4 h SER 461 N 1.21 -0.22 -0.75 -0.43 0.02 -1.36 -2.18 113.55 109.84 3gh4 h SER 461 Ca 0.32 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 3gh4 h SER 461 Cb -0.06 0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 3gh4 h SER 461 CO -0.06 -0.05 0.38 0.78 -1.14 0.00 0.00 176.83 176.74 3gh4 h ASN 462 N -0.38 0.97 -0.81 3.07 -0.26 -1.18 -1.86 115.58 115.13 3gh4 h ASN 462 Ca -0.03 -0.10 -0.01 0.00 -0.56 0.00 0.00 56.30 55.60 3gh4 h ASN 462 Cb 0.29 -0.25 -0.04 0.00 -1.06 0.00 0.00 38.32 37.27 3gh4 h ASN 462 CO 0.04 0.81 0.48 0.00 -1.06 0.00 0.00 177.43 177.70 3gh4 h ALA 463 N 1.34 1.30 -0.23 -0.83 0.00 -0.59 -0.97 119.26 119.28 3gh4 h ALA 463 Ca 0.26 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.89 3gh4 h ALA 463 Cb 0.09 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 3gh4 h ALA 463 CO -0.04 0.59 -0.57 1.49 0.00 0.00 0.00 179.25 180.72 3gh4 h GLU 464 N 1.14 0.72 -0.63 0.00 4.81 -0.92 -1.67 114.58 118.02 3gh4 h GLU 464 Ca 0.29 -0.47 0.04 0.00 -0.13 0.00 0.00 59.36 59.09 3gh4 h GLU 464 Cb -0.02 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.39 3gh4 h GLU 464 CO -0.05 1.09 0.42 0.28 -0.73 0.00 0.00 179.01 180.02 3gh4 h VAL 465 N 0.55 1.07 -0.02 0.32 2.07 -0.77 0.10 116.25 119.57 3gh4 h VAL 465 Ca 0.00 -0.25 -0.23 0.00 0.82 0.00 0.00 66.70 67.04 3gh4 h VAL 465 Cb 1.16 0.29 0.01 0.00 -1.52 0.00 0.00 31.29 31.22 3gh4 h VAL 465 CO 0.12 0.13 -0.94 1.23 0.02 0.00 0.00 177.57 178.12 3gh4 h GLY 466 N 0.72 0.59 0.00 2.17 0.00 -0.97 -3.40 103.07 102.18 3gh4 h GLY 466 Ca 0.26 -0.99 -0.21 0.00 0.00 0.00 0.00 47.33 46.38 3gh4 h GLY 466 CO -0.07 0.88 -1.26 1.87 0.00 0.00 0.00 176.54 177.96 3gh4 n TRP 467 N -3.80 0.90 -2.99 5.60 -0.00 -0.65 -2.12 117.44 114.39 3gh4 n TRP 467 Ca -0.08 0.39 -0.40 0.00 -0.00 0.00 0.00 57.50 57.42 3gh4 n TRP 467 Cb 0.83 -1.04 -0.05 0.00 -0.00 0.00 0.00 31.31 31.05 3gh4 n TRP 467 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 3gh4 s THR 468 N -2.36 4.62 0.50 5.87 2.01 0.33 -0.38 115.64 126.23 3gh4 s THR 468 Ca -0.28 1.65 -0.23 0.00 0.31 0.00 0.00 61.69 63.14 3gh4 s THR 468 Cb 0.06 -4.12 -0.06 0.00 0.01 0.00 0.00 72.50 68.39 3gh4 s THR 468 CO 0.52 0.42 1.31 0.00 -0.69 0.00 0.00 174.62 176.18 3gh4 s ALA 469 N -0.41 2.94 0.28 7.40 0.00 -1.26 -4.72 121.76 125.98 3gh4 s ALA 469 Ca 0.38 1.23 0.01 0.00 0.00 0.00 0.00 51.96 53.57 3gh4 s ALA 469 Cb -0.21 -3.51 0.55 0.00 0.00 0.00 0.00 23.12 19.95 3gh4 s ALA 469 CO 0.24 -1.11 1.82 -0.09 0.00 0.00 0.00 175.76 176.62 3gh4 h ARG 470 N 1.80 0.91 0.00 0.00 2.43 -1.95 -0.32 114.38 117.26 3gh4 h ARG 470 Ca -0.50 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 3gh4 h ARG 470 Cb 1.28 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 3gh4 h ARG 470 CO 0.59 0.61 0.00 0.78 -1.51 0.00 0.00 179.97 180.43 3gh4 h GLY 471 N 0.94 0.00 -1.75 2.80 0.00 -2.04 -1.86 103.07 101.16 3gh4 h GLY 471 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.83 3gh4 h GLY 471 CO -0.28 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.48 3gh4 n ASP 472 N -3.04 2.86 -4.85 0.19 10.43 -0.14 -4.96 116.55 117.04 3gh4 n ASP 472 Ca -0.02 -1.87 -0.38 0.00 2.57 0.00 0.00 54.79 55.09 3gh4 n ASP 472 Cb 0.12 -0.07 -0.06 0.00 1.84 0.00 0.00 41.12 42.95 3gh4 n ASP 472 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 3gh4 s ARG 473 N -1.58 3.78 -0.30 -1.24 0.52 -0.70 -4.96 118.95 114.47 3gh4 s ARG 473 Ca 0.27 0.22 -0.11 0.00 -0.52 0.00 0.00 55.73 55.59 3gh4 s ARG 473 Cb 0.18 -3.22 0.13 0.00 0.52 0.00 0.00 34.95 32.55 3gh4 s ARG 473 CO 0.26 0.70 0.66 1.21 0.02 0.00 0.00 175.30 178.15 3gh4 s ASN 474 N -0.98 -1.12 0.19 0.23 2.47 -1.26 -5.02 114.94 109.44 3gh4 s ASN 474 Ca 0.20 1.56 -0.12 0.00 0.42 0.00 0.00 52.86 54.92 3gh4 s ASN 474 Cb -0.15 2.22 0.14 0.00 -1.45 0.00 0.00 41.25 42.01 3gh4 s ASN 474 CO 0.10 -0.22 1.82 -0.25 -3.72 0.00 0.00 177.10 174.83 3gh4 h TRP 475 N 7.90 0.64 -0.83 0.43 2.91 -1.97 -0.47 115.95 124.56 3gh4 h TRP 475 Ca -0.19 0.02 0.05 0.00 1.13 0.00 0.00 58.89 59.90 3gh4 h TRP 475 Cb 1.11 -0.21 -0.06 0.00 -0.51 0.00 0.00 29.16 29.50 3gh4 h TRP 475 CO 0.15 0.36 0.52 -0.44 -1.03 0.00 0.00 178.44 178.00 3gh4 h ASP 476 N 0.68 0.82 0.29 2.65 3.32 -1.99 0.33 116.42 122.53 3gh4 h ASP 476 Ca 0.24 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 3gh4 h ASP 476 Cb 0.04 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.44 3gh4 h ASP 476 CO -0.11 0.54 -0.14 -0.78 -1.72 0.00 0.00 179.24 177.03 3gh4 h ASP 477 N 0.96 -0.33 -0.46 6.45 3.58 -1.90 -2.85 116.42 121.86 3gh4 h ASP 477 Ca 0.36 -0.09 0.02 0.00 0.42 0.00 0.00 57.03 57.73 3gh4 h ASP 477 Cb 0.13 0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.24 3gh4 h ASP 477 CO -0.16 -0.11 0.28 0.15 -2.88 0.00 0.00 179.24 176.52 3gh4 h PHE 478 N -0.55 0.52 -0.39 0.28 3.57 -0.72 -1.40 116.94 118.24 3gh4 h PHE 478 Ca -0.04 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.54 3gh4 h PHE 478 Cb 0.41 -0.17 -0.06 0.00 2.79 0.00 0.00 35.95 38.92 3gh4 h PHE 478 CO -0.01 0.30 0.04 -0.22 -2.23 0.00 0.00 178.31 176.19 3gh4 h LYS 479 N 0.56 0.15 -0.45 1.11 3.64 -0.40 0.35 116.57 121.54 3gh4 h LYS 479 Ca 0.18 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.45 3gh4 h LYS 479 Cb 0.01 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 3gh4 h LYS 479 CO -0.08 0.10 -0.15 1.49 -2.27 0.00 0.00 179.45 178.54 3gh4 h GLU 480 N 0.15 0.89 -0.87 1.90 4.57 -1.24 -1.40 114.58 118.59 3gh4 h GLU 480 Ca 0.19 -0.36 0.02 0.00 -1.18 0.00 0.00 59.36 58.03 3gh4 h GLU 480 Cb 0.25 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.76 3gh4 h GLU 480 CO -0.29 1.01 0.57 0.00 -1.18 0.00 0.00 179.01 179.12 3gh4 h ARG 481 N 0.72 1.11 -0.46 1.92 3.08 -0.72 -2.07 114.38 117.96 3gh4 h ARG 481 Ca 0.11 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 60.02 3gh4 h ARG 481 Cb 0.70 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 3gh4 h ARG 481 CO 0.05 0.74 -0.01 1.25 -1.07 0.00 0.00 179.97 180.93 3gh4 h LEU 482 N 1.15 0.81 -0.24 3.04 5.85 0.06 -1.00 115.31 124.97 3gh4 h LEU 482 Ca 0.33 -0.31 0.05 0.00 0.84 0.00 0.00 57.88 58.79 3gh4 h LEU 482 Cb -0.09 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.67 3gh4 h LEU 482 CO -0.08 0.92 -0.09 0.40 -0.34 0.00 0.00 178.44 179.25 3gh4 h ILE 483 N 0.67 0.69 -0.07 4.05 2.04 -1.00 -1.29 117.51 122.60 3gh4 h ILE 483 Ca 0.13 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.01 3gh4 h ILE 483 Cb 0.51 0.69 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 3gh4 h ILE 483 CO 0.03 0.00 0.05 -0.33 0.00 0.00 0.00 178.15 177.90 3gh4 h GLU 484 N -0.05 0.00 0.00 2.37 5.08 -1.05 -2.19 114.58 118.74 3gh4 h GLU 484 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3gh4 h GLU 484 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3gh4 h GLU 484 CO -0.27 0.00 0.00 1.25 -1.00 0.00 0.00 179.01 178.99 3gh4 h HIS 485 N 0.00 0.00 -0.67 4.33 2.76 -0.05 -3.39 115.15 118.14 3gh4 h HIS 485 Ca 0.03 0.00 0.14 0.00 -2.20 0.00 0.00 60.37 58.34 3gh4 h HIS 485 Cb 0.14 0.00 -0.11 0.00 1.55 0.00 0.00 27.41 28.99 3gh4 h HIS 485 CO 0.00 0.00 0.09 1.15 -1.30 0.00 0.00 177.93 177.87 3gh4 h THR 486 N 0.00 0.51 -0.35 6.26 2.02 -0.77 0.16 112.91 120.75 3gh4 h THR 486 Ca 0.00 -0.07 0.10 0.00 0.77 0.00 0.00 66.41 67.21 3gh4 h THR 486 Cb 0.85 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 3gh4 h THR 486 CO 0.00 0.04 0.26 -0.65 0.37 0.00 0.00 175.52 175.53 3gh4 h PRO 487 N 0.20 0.00 -0.33 6.66 0.11 -1.81 -1.63 132.00 135.20 3gh4 h PRO 487 Ca 0.36 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.32 3gh4 h PRO 487 Cb 0.60 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.70 3gh4 h PRO 487 CO -0.51 0.00 -0.40 0.00 -0.21 0.00 0.00 178.00 176.88 3gh4 h ARG 488 N 0.00 0.81 -0.55 1.05 3.08 -0.97 0.30 114.38 118.10 3gh4 h ARG 488 Ca 0.17 -0.43 -0.02 0.00 0.07 0.00 0.00 59.98 59.77 3gh4 h ARG 488 Cb 0.68 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.72 3gh4 h ARG 488 CO -0.00 1.06 0.27 -0.07 -1.07 0.00 0.00 179.97 180.16 3gh4 h LEU 489 N 0.66 0.72 -0.35 3.04 3.38 -1.21 -1.72 115.31 119.83 3gh4 h LEU 489 Ca 0.05 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 57.95 3gh4 h LEU 489 Cb 0.97 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 3gh4 h LEU 489 CO 0.09 0.64 0.08 1.56 0.09 0.00 0.00 178.44 180.90 3gh4 h GLN 490 N 0.74 0.20 -0.07 1.13 1.08 -1.17 -2.25 115.11 114.77 3gh4 h GLN 490 Ca 0.19 -0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 57.32 3gh4 h GLN 490 Cb 0.10 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 3gh4 h GLN 490 CO -0.03 0.13 -0.20 -0.91 -0.95 0.00 0.00 178.83 176.88 3gh4 h ASN 491 N 0.21 0.11 0.73 1.46 -0.26 -0.60 -1.05 115.58 116.18 3gh4 h ASN 491 Ca 0.16 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.88 3gh4 h ASN 491 Cb 0.17 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.40 3gh4 h ASN 491 CO -0.20 0.33 0.00 0.29 -1.06 0.00 0.00 177.43 176.78 3gh4 n LYS 492 N -4.25 0.14 -1.34 0.81 5.02 -0.68 -4.20 118.16 113.66 3gh4 n LYS 492 Ca -0.02 0.05 -0.02 0.00 -2.02 0.00 0.00 58.31 56.31 3gh4 n LYS 492 Cb 0.29 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.80 3gh4 n LYS 492 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gh4 n GLY 493 N 1.05 0.47 3.69 0.72 0.00 -0.40 -4.99 105.19 105.73 3gh4 n GLY 493 Ca 0.08 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 3gh4 n GLY 493 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gh4 s ILE 494 N -2.08 4.86 -1.29 -0.61 1.01 -0.87 -4.95 121.20 117.27 3gh4 s ILE 494 Ca 0.00 1.88 -0.08 0.00 0.00 0.00 0.00 60.65 62.45 3gh4 s ILE 494 Cb 0.00 -4.24 0.16 0.00 0.01 0.00 0.00 42.46 38.39 3gh4 s ILE 494 CO 0.00 0.08 2.05 0.29 0.00 0.00 0.00 174.94 177.35 3gh4 n LYS 495 N 4.65 4.02 -1.36 2.79 4.76 -1.26 -4.58 118.16 127.18 3gh4 n LYS 495 Ca 0.06 -3.54 -0.30 0.00 -2.87 0.00 0.00 58.31 51.65 3gh4 n LYS 495 Cb 0.50 -2.80 0.10 0.00 -1.84 0.00 0.00 35.03 30.99 3gh4 n LYS 495 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 3gh4 s PHE 496 N -0.31 2.64 -0.12 2.13 -0.12 -1.26 -2.42 117.98 118.52 3gh4 s PHE 496 Ca 0.44 1.34 -0.21 0.00 -0.05 0.00 0.00 56.93 58.46 3gh4 s PHE 496 Cb 0.13 -3.07 -0.04 0.00 -0.63 0.00 0.00 43.02 39.41 3gh4 s PHE 496 CO -0.03 -1.89 0.60 0.12 -0.05 0.00 0.00 175.22 173.97 3gh4 s PHE 497 N -3.00 3.50 -1.15 3.49 5.36 -0.40 -4.83 117.98 120.95 3gh4 s PHE 497 Ca 0.61 1.02 -0.21 0.00 -0.96 0.00 0.00 56.93 57.40 3gh4 s PHE 497 Cb -0.16 -2.71 0.06 0.00 -0.34 0.00 0.00 43.02 39.87 3gh4 s PHE 497 CO 0.56 0.04 1.58 0.00 -1.46 0.00 0.00 175.22 175.94 3gh4 s ALA 498 N 1.04 3.00 0.01 11.12 0.00 -1.26 -4.30 121.76 131.37 3gh4 s ALA 498 Ca 0.31 -2.57 -0.30 0.00 0.00 0.00 0.00 51.96 49.40 3gh4 s ALA 498 Cb -0.16 -4.58 -0.07 0.00 0.00 0.00 0.00 23.12 18.31 3gh4 s ALA 498 CO 0.13 -3.46 1.63 0.34 0.00 0.00 0.00 175.76 174.40 3gh4 s ASP 499 N 4.62 6.66 0.00 0.00 3.68 -1.26 -4.67 116.67 125.69 3gh4 s ASP 499 Ca 0.49 2.34 0.06 0.00 2.13 0.00 0.00 52.55 57.58 3gh4 s ASP 499 Cb 0.02 -2.55 0.28 0.00 -1.45 0.00 0.00 42.92 39.21 3gh4 s ASP 499 CO -0.02 -0.88 1.12 -0.81 0.13 0.00 0.00 175.17 174.70 3gh4 n PRO 500 N 6.25 0.04 0.00 4.34 -0.04 -1.26 -1.27 135.00 143.06 3gh4 n PRO 500 Ca 0.16 0.32 0.14 0.00 -0.04 0.00 0.00 63.50 64.07 3gh4 n PRO 500 Cb 0.42 -1.50 0.51 0.00 -0.04 0.00 0.00 33.50 32.89 3gh4 n PRO 500 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 3gh4 n ILE 501 N -1.40 0.00 0.80 0.52 3.06 -1.26 -0.89 119.36 120.18 3gh4 n ILE 501 Ca 0.02 -0.08 0.10 0.00 -2.50 0.00 0.00 62.75 60.29 3gh4 n ILE 501 Cb 0.06 0.09 0.08 0.00 0.54 0.00 0.00 39.64 40.41 3gh4 n ILE 501 CO 0.00 0.00 0.00 0.52 -2.50 0.00 0.00 176.55 174.57