#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gwh s ARG 16 N 0.00 2.60 0.20 1.64 0.52 -1.26 -4.87 118.95 117.77 2gwh s ARG 16 Ca 0.00 -0.66 -0.30 0.00 -0.52 0.00 0.00 55.73 54.25 2gwh s ARG 16 Cb 0.00 -2.50 -0.08 0.00 0.52 0.00 0.00 34.95 32.89 2gwh s ARG 16 CO 0.00 0.63 0.97 -0.51 0.02 0.00 0.00 175.30 176.41 2gwh s LEU 17 N -1.04 4.58 0.36 2.53 1.02 -0.66 -5.01 118.68 120.45 2gwh s LEU 17 Ca 0.14 1.94 -0.28 0.00 0.02 0.00 0.00 54.13 55.95 2gwh s LEU 17 Cb -0.11 -3.60 -0.10 0.00 0.02 0.00 0.00 46.19 42.39 2gwh s LEU 17 CO 0.04 0.03 1.36 -0.94 0.02 0.00 0.00 176.35 176.86 2gwh s SER 18 N -0.69 6.57 0.08 2.29 1.04 -1.26 -4.69 113.70 117.04 2gwh s SER 18 Ca 0.44 2.80 0.05 0.00 0.48 0.00 0.00 55.95 59.72 2gwh s SER 18 Cb -0.26 -2.65 -0.04 0.00 0.10 0.00 0.00 66.02 63.17 2gwh s SER 18 CO 0.32 -0.69 -0.02 0.68 0.98 0.00 0.00 173.24 174.51 2gwh s VAL 19 N -1.15 3.88 0.03 5.02 -7.23 -1.26 -4.02 120.40 115.67 2gwh s VAL 19 Ca 0.51 -1.00 0.01 0.00 -1.81 0.00 0.00 61.98 59.69 2gwh s VAL 19 Cb -0.42 -2.83 -0.02 0.00 0.56 0.00 0.00 36.38 33.67 2gwh s VAL 19 CO 0.56 0.15 -0.05 0.20 -0.31 0.00 0.00 175.10 175.65 2gwh s ASN 20 N -2.19 0.46 0.05 4.85 0.01 -0.69 -4.95 114.94 112.50 2gwh s ASN 20 Ca 0.24 -0.53 -0.31 0.00 -0.71 0.00 0.00 52.86 51.56 2gwh s ASN 20 Cb -0.12 0.08 -0.07 0.00 0.41 0.00 0.00 41.25 41.55 2gwh s ASN 20 CO 0.16 -0.27 1.49 -0.31 -1.51 0.00 0.00 177.10 176.67 2gwh s TYR 21 N -1.47 2.79 -0.15 2.20 2.02 -1.26 -0.48 117.35 121.00 2gwh s TYR 21 Ca -0.13 0.66 -0.01 0.00 -0.37 0.00 0.00 57.07 57.22 2gwh s TYR 21 Cb -0.10 -3.78 0.04 0.00 -0.40 0.00 0.00 41.96 37.72 2gwh s TYR 21 CO -0.01 -2.97 -0.04 0.08 -1.57 0.00 0.00 175.55 171.05 2gwh s VAL 22 N 2.16 0.93 -1.50 0.71 1.01 -0.01 -4.85 120.40 118.85 2gwh s VAL 22 Ca 0.68 -0.49 -0.12 0.00 0.00 0.00 0.00 61.98 62.05 2gwh s VAL 22 Cb -0.36 -1.13 0.07 0.00 0.00 0.00 0.00 36.38 34.96 2gwh s VAL 22 CO 0.29 0.12 0.95 0.29 0.00 0.00 0.00 175.10 176.76 2gwh n LYS 23 N 4.94 -5.51 -0.58 2.72 4.76 -1.26 -2.25 118.16 120.98 2gwh n LYS 23 Ca -0.11 0.61 0.00 0.00 -2.87 0.00 0.00 58.31 55.94 2gwh n LYS 23 Cb 0.48 -5.45 0.00 0.00 -1.84 0.00 0.00 35.03 28.22 2gwh n LYS 23 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2gwh n GLY 24 N -1.69 1.05 3.24 0.72 0.00 -1.26 -5.05 105.19 102.20 2gwh n GLY 24 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 2gwh n GLY 24 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2gwh s ILE 25 N -3.27 1.65 0.32 -0.61 -4.36 -0.95 -4.96 121.20 109.02 2gwh s ILE 25 Ca 0.00 -1.07 -0.29 0.00 -0.26 0.00 0.00 60.65 59.04 2gwh s ILE 25 Cb 0.00 -1.41 -0.10 0.00 1.25 0.00 0.00 42.46 42.20 2gwh s ILE 25 CO 0.00 0.31 1.29 -0.76 0.24 0.00 0.00 174.94 176.03 2gwh s LEU 26 N -0.88 4.44 0.02 0.37 1.43 -1.26 -0.83 118.68 121.95 2gwh s LEU 26 Ca 0.08 2.64 0.04 0.00 -1.03 0.00 0.00 54.13 55.86 2gwh s LEU 26 Cb -0.08 -3.64 -0.02 0.00 0.03 0.00 0.00 46.19 42.48 2gwh s LEU 26 CO 0.01 -0.50 -0.12 -1.10 0.23 0.00 0.00 176.35 174.87 2gwh s GLN 27 N -1.65 0.85 -1.39 1.70 -1.52 0.37 -1.02 119.66 117.01 2gwh s GLN 27 Ca 0.49 -0.57 -0.15 0.00 -1.95 0.00 0.00 55.36 53.18 2gwh s GLN 27 Cb -0.39 -0.82 0.03 0.00 -0.22 0.00 0.00 33.01 31.60 2gwh s GLN 27 CO 0.51 0.21 2.14 -0.35 -0.25 0.00 0.00 175.29 177.55 2gwh n PRO 28 N 2.31 2.78 -3.74 2.91 -0.04 -1.26 -1.70 135.00 136.26 2gwh n PRO 28 Ca -0.16 -2.63 -0.10 0.00 -0.04 0.00 0.00 63.50 60.57 2gwh n PRO 28 Cb 0.56 -3.29 -0.05 0.00 -0.04 0.00 0.00 33.50 30.67 2gwh n PRO 28 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2gwh s THR 29 N 3.55 0.06 0.94 0.52 -1.32 -1.26 -4.65 115.64 113.48 2gwh s THR 29 Ca 0.49 -0.83 -0.15 0.00 -1.21 0.00 0.00 61.69 60.00 2gwh s THR 29 Cb 0.13 -1.44 0.21 0.00 -1.51 0.00 0.00 72.50 69.89 2gwh s THR 29 CO -0.05 -0.26 1.28 -0.90 -2.21 0.00 0.00 174.62 172.48 2gwh n ASP 30 N -0.25 0.25 -0.02 8.08 5.68 -1.26 -3.74 116.55 125.29 2gwh n ASP 30 Ca -0.12 -1.56 0.15 0.00 -0.50 0.00 0.00 54.79 52.76 2gwh n ASP 30 Cb 0.63 -0.97 0.76 0.00 -1.14 0.00 0.00 41.12 40.40 2gwh n ASP 30 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2gwh n THR 31 N -3.71 0.00 -2.60 2.12 -2.24 -1.26 -4.63 114.28 101.96 2gwh n THR 31 Ca 0.17 -0.01 -0.41 0.00 -2.27 0.00 0.00 64.05 61.52 2gwh n THR 31 Cb 0.58 -0.44 -0.03 0.00 -2.10 0.00 0.00 70.33 68.34 2gwh n THR 31 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gwh s ASP 33 N 4.28 5.87 -0.16 0.00 2.15 -1.26 -4.85 116.67 122.70 2gwh s ASP 33 Ca 0.39 1.94 0.17 0.00 0.43 0.00 0.00 52.55 55.48 2gwh s ASP 33 Cb -0.05 -2.52 0.42 0.00 -0.30 0.00 0.00 42.92 40.47 2gwh s ASP 33 CO 0.02 -1.62 1.30 2.30 -0.17 0.00 0.00 175.17 177.00 2gwh n ILE 34 N 7.02 2.13 -0.26 4.11 -5.35 -1.26 -4.80 119.36 120.95 2gwh n ILE 34 Ca 0.25 -2.13 -0.01 0.00 -0.27 0.00 0.00 62.75 60.59 2gwh n ILE 34 Cb 0.44 -0.25 0.11 0.00 -1.74 0.00 0.00 39.64 38.20 2gwh n ILE 34 CO 0.00 0.00 0.00 -0.25 -1.76 0.00 0.00 176.55 174.54 2gwh h TRP 35 N 0.97 0.79 -0.96 4.28 2.91 -2.01 -2.78 115.95 119.15 2gwh h TRP 35 Ca 0.01 0.03 0.09 0.00 1.13 0.00 0.00 58.89 60.15 2gwh h TRP 35 Cb 1.26 -0.25 -0.07 0.00 -0.51 0.00 0.00 29.16 29.59 2gwh h TRP 35 CO 0.32 0.39 0.62 -0.44 -1.03 0.00 0.00 178.44 178.30 2gwh h ASP 36 N 0.79 0.92 -0.81 2.65 3.32 -1.99 0.53 116.42 121.83 2gwh h ASP 36 Ca 0.32 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.38 2gwh h ASP 36 Cb 0.17 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 2gwh h ASP 36 CO -0.17 0.54 0.43 0.11 -1.72 0.00 0.00 179.24 178.43 2gwh h LYS 37 N 1.01 1.14 -0.01 3.56 1.57 -1.89 0.52 116.57 122.48 2gwh h LYS 37 Ca 0.44 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 59.08 2gwh h LYS 37 Cb 0.35 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 2gwh h LYS 37 CO -0.20 0.85 -0.00 0.82 -0.57 0.00 0.00 179.45 180.35 2gwh h ILE 38 N 1.13 1.26 -0.92 1.86 2.04 -1.05 -2.50 117.51 119.32 2gwh h ILE 38 Ca 0.28 -0.77 0.04 0.00 1.00 0.00 0.00 64.86 65.42 2gwh h ILE 38 Cb 0.06 1.76 -0.05 0.00 -0.74 0.00 0.00 36.82 37.84 2gwh h ILE 38 CO -0.04 0.20 0.61 -0.25 0.00 0.00 0.00 178.15 178.67 2gwh h TRP 39 N -0.30 1.12 -0.21 1.37 2.91 -0.79 -0.68 115.95 119.38 2gwh h TRP 39 Ca 0.00 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.05 2gwh h TRP 39 Cb 0.33 -0.37 0.00 0.00 -0.51 0.00 0.00 29.16 28.61 2gwh h TRP 39 CO 0.04 0.64 0.00 0.09 -1.03 0.00 0.00 178.44 178.17 2gwh n ASN 40 N -4.45 1.47 -4.56 2.65 5.03 0.16 -3.97 115.26 111.59 2gwh n ASN 40 Ca 0.13 -2.06 -0.54 0.00 0.87 0.00 0.00 54.58 52.97 2gwh n ASN 40 Cb 0.12 -0.24 -0.07 0.00 -1.02 0.00 0.00 39.78 38.57 2gwh n ASN 40 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 2gwh n PHE 41 N 0.16 1.24 -3.05 3.10 7.35 -0.26 -4.91 117.46 121.09 2gwh n PHE 41 Ca 0.08 0.77 -0.44 0.00 -0.76 0.00 0.00 57.45 57.10 2gwh n PHE 41 Cb 0.27 -2.26 -0.05 0.00 0.35 0.00 0.00 39.48 37.79 2gwh n PHE 41 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 2gwh s GLN 42 N 0.31 3.16 0.57 -4.13 -0.21 -1.26 -4.44 119.66 113.67 2gwh s GLN 42 Ca 0.86 -0.79 -0.07 0.00 0.02 0.00 0.00 55.36 55.38 2gwh s GLN 42 Cb -1.05 -4.12 -0.01 0.00 1.00 0.00 0.00 33.01 28.83 2gwh s GLN 42 CO 0.50 -1.38 0.90 0.00 -2.12 0.00 0.00 175.29 173.19 2gwh s ALA 43 N 3.08 3.26 0.13 6.09 0.00 -1.26 -5.07 121.76 128.00 2gwh s ALA 43 Ca 0.19 -0.50 0.11 0.00 0.00 0.00 0.00 51.96 51.75 2gwh s ALA 43 Cb -0.18 -2.71 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 2gwh s ALA 43 CO 0.13 -0.67 -0.26 0.15 0.00 0.00 0.00 175.76 175.11 2gwh s LYS 44 N -4.97 1.37 0.60 0.00 1.02 -1.26 -4.98 119.74 111.52 2gwh s LYS 44 Ca 0.52 -1.34 0.31 0.00 0.02 0.00 0.00 55.97 55.47 2gwh s LYS 44 Cb -0.11 -1.82 1.86 0.00 -0.52 0.00 0.00 37.83 37.24 2gwh s LYS 44 CO 0.47 0.43 2.26 -1.35 -0.92 0.00 0.00 175.35 176.24 2gwh h PRO 45 N 3.83 0.00 -0.44 -1.68 0.11 -1.96 -0.55 132.00 131.30 2gwh h PRO 45 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2gwh h PRO 45 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2gwh h PRO 45 CO 0.40 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.79 2gwh n ASP 46 N -3.80 3.41 -4.76 -2.05 5.75 -1.26 -4.54 116.55 109.29 2gwh n ASP 46 Ca -0.03 -1.98 -0.41 0.00 -0.01 0.00 0.00 54.79 52.36 2gwh n ASP 46 Cb 0.09 -0.29 -0.01 0.00 -1.03 0.00 0.00 41.12 39.88 2gwh n ASP 46 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 2gwh s ASP 47 N -1.39 6.55 -0.02 -1.12 1.01 -0.22 -4.36 116.67 117.13 2gwh s ASP 47 Ca 0.40 2.83 0.02 0.00 0.71 0.00 0.00 52.55 56.51 2gwh s ASP 47 Cb 0.23 -2.65 -0.03 0.00 1.01 0.00 0.00 42.92 41.48 2gwh s ASP 47 CO 0.31 -0.74 -0.04 -0.76 0.21 0.00 0.00 175.17 174.15 2gwh s LEU 48 N -1.35 3.30 -0.08 1.23 1.43 -0.25 -3.70 118.68 119.26 2gwh s LEU 48 Ca 0.55 -0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.62 2gwh s LEU 48 Cb -0.44 -1.84 0.01 0.00 0.03 0.00 0.00 46.19 43.95 2gwh s LEU 48 CO 0.53 0.31 -0.15 -0.22 0.23 0.00 0.00 176.35 177.04 2gwh s LEU 49 N -1.27 1.76 -0.24 1.79 2.96 -0.72 -0.61 118.68 122.35 2gwh s LEU 49 Ca 0.16 -0.37 -0.10 0.00 -0.22 0.00 0.00 54.13 53.60 2gwh s LEU 49 Cb -0.11 -0.99 -0.04 0.00 0.50 0.00 0.00 46.19 45.54 2gwh s LEU 49 CO 0.06 0.07 0.13 -0.63 -1.32 0.00 0.00 176.35 174.66 2gwh s ILE 50 N 0.60 5.06 -0.08 6.68 1.09 0.22 -0.17 121.20 134.58 2gwh s ILE 50 Ca -0.15 0.08 0.03 0.00 -1.10 0.00 0.00 60.65 59.51 2gwh s ILE 50 Cb -0.16 -3.36 0.01 0.00 -1.06 0.00 0.00 42.46 37.88 2gwh s ILE 50 CO 0.05 0.34 -0.19 -0.55 -0.10 0.00 0.00 174.94 174.49 2gwh s SER 51 N 1.22 2.52 -0.02 3.58 0.15 -0.10 -1.69 113.70 119.36 2gwh s SER 51 Ca 0.06 -0.45 -0.17 0.00 0.70 0.00 0.00 55.95 56.10 2gwh s SER 51 Cb -0.14 -1.14 0.03 0.00 -1.71 0.00 0.00 66.02 63.06 2gwh s SER 51 CO 0.05 0.11 0.36 0.42 1.20 0.00 0.00 173.24 175.38 2gwh s THR 52 N 0.46 0.05 0.58 6.45 -4.23 -0.95 -1.75 115.64 116.25 2gwh s THR 52 Ca -0.17 -0.40 -0.20 0.00 -1.18 0.00 0.00 61.69 59.75 2gwh s THR 52 Cb -0.17 -0.66 -0.04 0.00 1.34 0.00 0.00 72.50 72.97 2gwh s THR 52 CO 0.07 -0.22 1.23 -0.47 -0.54 0.00 0.00 174.62 174.69 2gwh s TYR 53 N -1.27 2.39 0.07 3.99 5.04 -1.26 -4.09 117.35 122.22 2gwh s TYR 53 Ca -0.13 1.50 -0.36 0.00 -2.44 0.00 0.00 57.07 55.63 2gwh s TYR 53 Cb -0.04 -3.53 -0.16 0.00 0.35 0.00 0.00 41.96 38.57 2gwh s TYR 53 CO 0.05 -2.30 1.47 -2.30 -1.34 0.00 0.00 175.55 171.12 2gwh n PRO 54 N -1.43 1.47 -0.99 4.97 -0.02 -1.26 -1.94 135.00 135.80 2gwh n PRO 54 Ca 0.13 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 2gwh n PRO 54 Cb 0.49 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 2gwh n PRO 54 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2gwh n LYS 55 N 3.20 0.00 0.00 -0.52 4.76 -1.26 -4.84 118.16 119.50 2gwh n LYS 55 Ca 0.19 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.75 2gwh n LYS 55 Cb 0.22 -2.88 0.58 0.00 -1.84 0.00 0.00 35.03 31.10 2gwh n LYS 55 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2gwh n ALA 56 N 0.97 2.21 0.00 7.82 0.00 -0.82 -4.83 120.51 125.85 2gwh n ALA 56 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2gwh n ALA 56 Cb 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.03 2gwh n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gwh n GLY 57 N 1.07 1.14 0.12 0.00 0.00 -1.26 -4.47 105.19 101.79 2gwh n GLY 57 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 2gwh n GLY 57 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2gwh h THR 58 N 0.00 0.89 -0.61 2.61 2.02 -1.89 -2.08 112.91 113.85 2gwh h THR 58 Ca 0.00 -0.21 -0.06 0.00 0.77 0.00 0.00 66.41 66.90 2gwh h THR 58 Cb 0.00 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 2gwh h THR 58 CO 0.00 0.05 0.14 0.74 0.37 0.00 0.00 175.52 176.82 2gwh h THR 59 N -0.32 1.25 -0.09 3.16 2.02 -1.97 -0.24 112.91 116.72 2gwh h THR 59 Ca -0.02 -0.93 0.01 0.00 0.77 0.00 0.00 66.41 66.23 2gwh h THR 59 Cb 0.25 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 2gwh h THR 59 CO 0.04 0.35 0.03 -0.25 0.37 0.00 0.00 175.52 176.05 2gwh h TRP 60 N 0.90 0.05 -0.48 3.16 7.01 -1.93 -2.32 115.95 122.33 2gwh h TRP 60 Ca 0.19 0.00 -0.13 0.00 2.11 0.00 0.00 58.89 61.07 2gwh h TRP 60 Cb 0.37 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.41 2gwh h TRP 60 CO 0.03 0.02 -0.19 1.15 -2.79 0.00 0.00 178.44 176.66 2gwh h THR 61 N 0.07 1.27 -0.81 2.65 2.02 -1.02 -2.16 112.91 114.93 2gwh h THR 61 Ca 0.04 -1.35 0.04 0.00 0.77 0.00 0.00 66.41 65.91 2gwh h THR 61 Cb 0.02 1.12 -0.05 0.00 -1.74 0.00 0.00 68.15 67.50 2gwh h THR 61 CO -0.04 0.47 0.51 1.56 0.37 0.00 0.00 175.52 178.38 2gwh h GLN 62 N 0.83 0.94 -0.06 6.66 4.20 -1.01 0.85 115.11 127.52 2gwh h GLN 62 Ca 0.11 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 2gwh h GLN 62 Cb 0.77 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 28.33 2gwh h GLN 62 CO 0.06 0.62 0.02 1.49 -0.67 0.00 0.00 178.83 180.36 2gwh h GLU 63 N 0.97 0.10 -0.12 1.46 4.57 -1.08 -1.13 114.58 119.35 2gwh h GLU 63 Ca 0.33 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.53 2gwh h GLU 63 Cb 0.06 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.60 2gwh h GLU 63 CO -0.13 0.27 -0.10 0.82 -1.18 0.00 0.00 179.01 178.68 2gwh h ILE 64 N -0.09 0.71 0.05 2.32 2.04 -1.15 -2.29 117.51 119.10 2gwh h ILE 64 Ca 0.02 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.89 2gwh h ILE 64 Cb 0.21 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 2gwh h ILE 64 CO -0.00 0.00 -0.09 0.58 0.00 0.00 0.00 178.15 178.64 2gwh h VAL 65 N -0.12 0.77 -0.77 1.67 2.07 -0.63 -0.06 116.25 119.20 2gwh h VAL 65 Ca 0.08 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.62 2gwh h VAL 65 Cb 0.23 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 2gwh h VAL 65 CO -0.19 0.00 0.50 -0.08 0.02 0.00 0.00 177.57 177.82 2gwh h GLU 66 N -0.19 0.96 -0.26 1.57 4.81 -1.24 0.02 114.58 120.25 2gwh h GLU 66 Ca 0.02 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.10 2gwh h GLU 66 Cb 0.20 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 2gwh h GLU 66 CO -0.06 0.63 -0.23 -0.07 -0.73 0.00 0.00 179.01 178.56 2gwh h LEU 67 N 0.99 0.48 0.48 1.64 3.38 -1.08 0.15 115.31 121.35 2gwh h LEU 67 Ca 0.29 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 2gwh h LEU 67 Cb -0.05 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.58 2gwh h LEU 67 CO -0.09 0.71 -0.23 0.40 0.09 0.00 0.00 178.44 179.32 2gwh h ILE 68 N 0.43 0.49 -1.01 1.22 2.04 -0.73 0.86 117.51 120.81 2gwh h ILE 68 Ca 0.07 -0.29 0.23 0.00 1.00 0.00 0.00 64.86 65.87 2gwh h ILE 68 Cb 0.64 0.61 -0.11 0.00 -0.74 0.00 0.00 36.82 37.22 2gwh h ILE 68 CO 0.05 0.05 0.61 -0.61 0.00 0.00 0.00 178.15 178.25 2gwh h GLN 69 N -0.83 0.60 -0.63 2.37 5.75 -0.77 0.02 115.11 121.63 2gwh h GLN 69 Ca -0.07 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.40 2gwh h GLN 69 Cb 0.57 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.98 2gwh h GLN 69 CO 0.11 0.40 0.00 0.09 -2.65 0.00 0.00 178.83 176.78 2gwh n ASN 70 N -4.79 3.75 -3.98 -0.69 3.02 0.51 -4.96 115.26 108.12 2gwh n ASN 70 Ca 0.25 -2.22 -0.31 0.00 -0.03 0.00 0.00 54.58 52.27 2gwh n ASN 70 Cb 0.70 -0.48 0.01 0.00 -0.61 0.00 0.00 39.78 39.40 2gwh n ASN 70 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2gwh n GLU 71 N 1.07 -4.79 -0.41 3.52 1.02 -0.01 -2.25 120.64 118.79 2gwh n GLU 71 Ca 0.21 0.53 0.00 0.00 -0.02 0.00 0.00 57.16 57.89 2gwh n GLU 71 Cb 0.66 -5.32 0.00 0.00 -0.02 0.00 0.00 31.44 26.77 2gwh n GLU 71 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2gwh n GLY 72 N -1.63 0.76 3.57 0.62 0.00 0.28 -5.00 105.19 103.80 2gwh n GLY 72 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2gwh n GLY 72 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gwh s ASP 73 N -2.34 4.93 0.38 1.61 -1.08 -0.96 -4.78 116.67 114.44 2gwh s ASP 73 Ca 0.00 -1.09 0.08 0.00 -0.52 0.00 0.00 52.55 51.03 2gwh s ASP 73 Cb 0.00 -2.57 0.76 0.00 -1.46 0.00 0.00 42.92 39.64 2gwh s ASP 73 CO 0.00 -3.06 1.91 -0.37 0.52 0.00 0.00 175.17 174.17 2gwh h VAL 74 N 6.78 1.18 -0.29 1.11 -1.51 -1.94 -2.77 116.25 118.81 2gwh h VAL 74 Ca 0.14 -0.75 0.06 0.00 -1.23 0.00 0.00 66.70 64.92 2gwh h VAL 74 Cb 0.98 1.13 -0.06 0.00 -2.13 0.00 0.00 31.29 31.21 2gwh h VAL 74 CO 1.20 0.24 -0.08 -0.33 -1.23 0.00 0.00 177.57 177.36 2gwh h GLU 75 N 0.29 -0.02 -0.94 5.19 3.07 -2.00 -2.39 114.58 117.78 2gwh h GLU 75 Ca 0.06 0.00 0.07 0.00 -0.50 0.00 0.00 59.36 58.99 2gwh h GLU 75 Cb 0.35 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.19 2gwh h GLU 75 CO 0.02 -0.01 0.60 -0.22 -1.40 0.00 0.00 179.01 178.00 2gwh h LYS 76 N -0.02 1.05 0.00 2.33 3.64 -1.90 -1.86 116.57 119.82 2gwh h LYS 76 Ca 0.14 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2gwh h LYS 76 Cb 0.23 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2gwh h LYS 76 CO -0.31 0.69 0.00 0.43 -2.27 0.00 0.00 179.45 178.00 2gwh n SER 77 N -4.56 0.53 -0.65 4.20 7.64 -0.93 -2.46 113.62 117.40 2gwh n SER 77 Ca 0.14 0.61 0.11 0.00 1.01 0.00 0.00 58.87 60.74 2gwh n SER 77 Cb 0.19 -0.73 0.36 0.00 -1.01 0.00 0.00 64.21 63.02 2gwh n SER 77 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2gwh n LYS 78 N -2.07 1.86 0.27 1.43 4.01 -0.70 -4.42 118.16 118.54 2gwh n LYS 78 Ca 0.03 -1.29 0.14 0.00 -0.51 0.00 0.00 58.31 56.69 2gwh n LYS 78 Cb 0.26 -1.42 0.73 0.00 -0.51 0.00 0.00 35.03 34.09 2gwh n LYS 78 CO 0.00 0.00 0.00 0.07 -1.11 0.00 0.00 177.40 176.36 2gwh h ARG 79 N 2.65 0.00 -1.81 1.97 0.11 -1.54 -3.46 114.38 112.31 2gwh h ARG 79 Ca 0.00 0.00 0.21 0.00 0.10 0.00 0.00 59.98 60.29 2gwh h ARG 79 Cb 0.58 0.00 -0.16 0.00 1.11 0.00 0.00 29.97 31.50 2gwh h ARG 79 CO 0.00 0.11 0.68 0.00 0.10 0.00 0.00 179.97 180.86 2gwh s ALA 80 N -4.04 -1.98 0.79 0.08 0.00 -1.26 -5.12 121.76 110.23 2gwh s ALA 80 Ca -0.02 1.16 -0.11 0.00 0.00 0.00 0.00 51.96 52.99 2gwh s ALA 80 Cb 0.12 0.19 0.07 0.00 0.00 0.00 0.00 23.12 23.49 2gwh s ALA 80 CO 0.57 -0.73 1.09 -1.25 0.00 0.00 0.00 175.76 175.44 2gwh s PRO 81 N -2.72 2.13 0.23 0.00 0.04 -1.26 -4.73 135.00 128.69 2gwh s PRO 81 Ca 0.09 0.89 -0.16 0.00 0.04 0.00 0.00 61.00 61.86 2gwh s PRO 81 Cb -0.00 -1.90 0.27 0.00 0.04 0.00 0.00 34.50 32.90 2gwh s PRO 81 CO -0.05 -1.66 1.56 1.15 0.04 0.00 0.00 177.00 178.04 2gwh h THR 82 N -1.13 0.04 0.00 1.26 2.02 -1.57 -0.72 112.91 112.81 2gwh h THR 82 Ca -0.46 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.70 2gwh h THR 82 Cb 1.25 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.69 2gwh h THR 82 CO 0.55 0.00 -0.09 1.12 0.37 0.00 0.00 175.52 177.47 2gwh h HIS 83 N -0.02 0.00 0.00 3.16 2.07 -1.89 -1.39 115.15 117.07 2gwh h HIS 83 Ca 0.36 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.85 2gwh h HIS 83 Cb 0.61 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.59 2gwh h HIS 83 CO -0.81 0.09 -1.46 1.04 -3.07 0.00 0.00 177.93 173.72 2gwh n GLN 84 N -3.52 0.63 0.08 5.12 6.02 -0.39 -4.09 117.38 121.23 2gwh n GLN 84 Ca -0.02 -0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.92 2gwh n GLN 84 Cb 0.23 -1.70 -0.08 0.00 1.02 0.00 0.00 30.24 29.71 2gwh n GLN 84 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2gwh h ARG 85 N 0.00 0.00 -3.77 -1.09 3.08 -0.42 -3.45 114.38 108.73 2gwh h ARG 85 Ca -0.03 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.46 2gwh h ARG 85 Cb 1.07 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.73 2gwh h ARG 85 CO 0.00 0.89 -0.77 -0.06 -1.07 0.00 0.00 179.97 178.97 2gwh s PHE 86 N -2.78 1.66 0.17 3.04 0.08 -0.61 -4.76 117.98 114.79 2gwh s PHE 86 Ca 0.02 -1.44 -0.32 0.00 0.12 0.00 0.00 56.93 55.31 2gwh s PHE 86 Cb 0.10 -1.45 -0.12 0.00 -0.57 0.00 0.00 43.02 40.98 2gwh s PHE 86 CO 0.80 -0.75 1.73 -2.30 -0.10 0.00 0.00 175.22 174.60 2gwh n PRO 87 N 4.87 2.65 -3.37 0.24 -0.02 -1.25 -4.70 135.00 133.41 2gwh n PRO 87 Ca -0.07 0.96 -0.46 0.00 -2.02 0.00 0.00 63.50 61.91 2gwh n PRO 87 Cb 0.44 -2.80 -0.03 0.00 -0.02 0.00 0.00 33.50 31.09 2gwh n PRO 87 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2gwh s PHE 88 N 1.56 3.63 0.21 6.00 5.99 -1.26 -0.55 117.98 133.56 2gwh s PHE 88 Ca 0.78 -1.93 -0.15 0.00 0.00 0.00 0.00 56.93 55.63 2gwh s PHE 88 Cb -0.54 -3.75 0.22 0.00 0.00 0.00 0.00 43.02 38.95 2gwh s PHE 88 CO 0.35 -0.98 1.62 -0.07 -0.00 0.00 0.00 175.22 176.14 2gwh h LEU 89 N 7.93 -0.68 -0.55 6.12 3.38 -1.50 -1.06 115.31 128.95 2gwh h LEU 89 Ca 0.01 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2gwh h LEU 89 Cb 1.04 0.42 0.00 0.00 0.09 0.00 0.00 40.66 42.22 2gwh h LEU 89 CO 0.80 -0.23 -0.06 -1.84 0.09 0.00 0.00 178.44 177.21 2gwh n GLU 90 N -5.44 1.21 -2.39 1.13 0.00 -1.26 -3.42 120.64 110.47 2gwh n GLU 90 Ca 0.07 -0.55 -0.42 0.00 0.00 0.00 0.00 57.16 56.26 2gwh n GLU 90 Cb 0.34 -1.49 -0.03 0.00 0.00 0.00 0.00 31.44 30.26 2gwh n GLU 90 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.13 178.54 2gwh s MET 91 N -2.17 4.43 -0.29 3.44 1.75 -0.40 -4.93 119.30 121.12 2gwh s MET 91 Ca 0.36 1.81 -0.02 0.00 -1.25 0.00 0.00 55.69 56.59 2gwh s MET 91 Cb 0.21 -3.33 0.12 0.00 2.84 0.00 0.00 34.83 34.67 2gwh s MET 91 CO 0.40 -0.26 0.22 0.21 -0.65 0.00 0.00 175.02 174.94 2gwh s LYS 92 N 0.97 0.27 -0.05 4.11 2.20 -1.26 -1.43 119.74 124.55 2gwh s LYS 92 Ca 0.59 -0.32 0.01 0.00 -0.36 0.00 0.00 55.97 55.89 2gwh s LYS 92 Cb -0.30 -0.88 0.02 0.00 -1.51 0.00 0.00 37.83 35.16 2gwh s LYS 92 CO 0.30 -1.03 -0.04 0.42 -0.36 0.00 0.00 175.35 174.64 2gwh s ILE 93 N 2.24 0.54 0.02 5.43 1.01 -1.05 -4.53 121.20 124.86 2gwh s ILE 93 Ca 0.09 -0.11 -0.37 0.00 0.00 0.00 0.00 60.65 60.26 2gwh s ILE 93 Cb -0.15 -0.58 -0.17 0.00 0.01 0.00 0.00 42.46 41.58 2gwh s ILE 93 CO -0.35 0.23 1.41 -2.65 0.00 0.00 0.00 174.94 173.59 2gwh n PRO 94 N 4.16 1.13 -0.33 2.79 -0.02 -1.26 -0.59 135.00 140.89 2gwh n PRO 94 Ca -0.23 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 2gwh n PRO 94 Cb 0.51 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 2gwh n PRO 94 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2gwh n SER 95 N 3.03 0.00 -0.01 2.55 3.41 -1.26 -4.76 113.62 116.58 2gwh n SER 95 Ca 0.20 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.87 2gwh n SER 95 Cb 0.18 -0.15 -0.07 0.00 -0.26 0.00 0.00 64.21 63.91 2gwh n SER 95 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2gwh n LEU 96 N 0.00 0.67 0.00 1.04 4.77 0.24 -4.99 117.00 118.73 2gwh n LEU 96 Ca 0.00 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 2gwh n LEU 96 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2gwh n LEU 96 CO 0.00 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 2gwh n GLY 97 N 1.31 0.65 2.94 -0.72 0.00 -0.91 -4.84 105.19 103.61 2gwh n GLY 97 Ca 0.03 -0.85 -0.23 0.00 0.00 0.00 0.00 46.02 44.96 2gwh n GLY 97 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gwh s SER 98 N -4.00 1.52 0.34 1.61 0.15 -1.26 -2.52 113.70 109.53 2gwh s SER 98 Ca 0.00 -0.22 0.03 0.00 0.70 0.00 0.00 55.95 56.46 2gwh s SER 98 Cb 0.00 -0.66 0.61 0.00 -1.71 0.00 0.00 66.02 64.25 2gwh s SER 98 CO 0.00 -0.04 1.93 1.23 1.20 0.00 0.00 173.24 177.56 2gwh h GLY 99 N 7.33 0.74 0.83 9.45 0.00 -1.32 -0.70 103.07 119.39 2gwh h GLY 99 Ca -0.33 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 46.63 2gwh h GLY 99 CO 0.45 0.34 0.03 -2.00 0.00 0.00 0.00 176.54 175.36 2gwh h LEU 100 N 0.68 0.24 -0.90 3.11 5.85 -1.77 0.38 115.31 122.91 2gwh h LEU 100 Ca 0.17 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 2gwh h LEU 100 Cb 0.14 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 2gwh h LEU 100 CO -0.02 0.42 0.28 -0.33 -0.34 0.00 0.00 178.44 178.46 2gwh h GLU 101 N 0.06 1.08 -0.62 1.25 3.07 -1.89 -0.14 114.58 117.39 2gwh h GLU 101 Ca 0.05 -0.19 -0.05 0.00 -0.50 0.00 0.00 59.36 58.66 2gwh h GLU 101 Cb 0.28 -0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 27.98 2gwh h GLU 101 CO 0.00 0.89 0.18 1.96 -1.40 0.00 0.00 179.01 180.63 2gwh h GLN 102 N 1.06 0.98 -0.20 2.33 4.20 -0.76 -1.64 115.11 121.07 2gwh h GLN 102 Ca 0.24 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 2gwh h GLN 102 Cb 0.21 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 2gwh h GLN 102 CO -0.02 0.88 0.12 0.00 -0.67 0.00 0.00 178.83 179.13 2gwh h ALA 103 N 1.06 0.26 -0.52 3.87 0.00 0.08 -1.52 119.26 122.48 2gwh h ALA 103 Ca 0.20 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.11 2gwh h ALA 103 Cb 0.32 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2gwh h ALA 103 CO -0.00 -0.22 0.35 0.45 0.00 0.00 0.00 179.25 179.82 2gwh h HIS 104 N 0.23 0.49 0.00 0.00 3.86 -0.73 -0.91 115.15 118.09 2gwh h HIS 104 Ca 0.07 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 2gwh h HIS 104 Cb 0.04 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.35 2gwh h HIS 104 CO -0.04 0.27 -0.40 0.00 0.86 0.00 0.00 177.93 178.61 2gwh n ALA 105 N -2.49 3.02 -2.67 2.45 0.00 -0.64 -4.89 120.51 115.28 2gwh n ALA 105 Ca 0.07 -0.24 -0.42 0.00 0.00 0.00 0.00 53.44 52.85 2gwh n ALA 105 Cb 0.22 -1.23 -0.04 0.00 0.00 0.00 0.00 19.45 18.40 2gwh n ALA 105 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2gwh s MET 106 N -3.06 4.28 0.40 0.00 0.00 -0.35 -5.03 119.30 115.54 2gwh s MET 106 Ca 0.10 1.04 -0.27 0.00 0.00 0.00 0.00 55.69 56.57 2gwh s MET 106 Cb 0.16 -3.59 -0.09 0.00 0.00 0.00 0.00 34.83 31.31 2gwh s MET 106 CO 0.66 -0.38 1.34 -1.25 0.00 0.00 0.00 175.02 175.39 2gwh s PRO 107 N 2.32 4.01 0.64 4.11 0.04 -1.26 -4.87 135.00 140.00 2gwh s PRO 107 Ca 0.38 2.24 -0.17 0.00 0.04 0.00 0.00 61.00 63.50 2gwh s PRO 107 Cb -0.16 -2.82 -0.01 0.00 0.04 0.00 0.00 34.50 31.55 2gwh s PRO 107 CO 0.11 -0.49 1.17 -1.12 0.04 0.00 0.00 177.00 176.72 2gwh s SER 108 N -0.60 4.94 -0.22 6.66 0.01 -1.26 -3.99 113.70 119.24 2gwh s SER 108 Ca 0.56 2.25 -0.28 0.00 1.31 0.00 0.00 55.95 59.79 2gwh s SER 108 Cb -0.40 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.26 2gwh s SER 108 CO 0.52 -1.75 1.01 -2.16 0.41 0.00 0.00 173.24 171.26 2gwh s PRO 109 N -3.69 4.27 0.39 12.44 0.04 -1.26 -5.14 135.00 142.04 2gwh s PRO 109 Ca 0.73 1.30 -0.23 0.00 0.04 0.00 0.00 61.00 62.84 2gwh s PRO 109 Cb -0.27 -3.63 -0.10 0.00 0.04 0.00 0.00 34.50 30.54 2gwh s PRO 109 CO 0.38 -0.58 0.97 1.03 0.04 0.00 0.00 177.00 178.83 2gwh s ARG 110 N 3.03 4.33 -0.31 4.56 0.52 -1.26 -4.93 118.95 124.89 2gwh s ARG 110 Ca 0.43 1.26 0.02 0.00 -0.52 0.00 0.00 55.73 56.92 2gwh s ARG 110 Cb -0.15 -2.45 0.08 0.00 0.52 0.00 0.00 34.95 32.94 2gwh s ARG 110 CO 0.07 0.05 0.00 0.42 0.02 0.00 0.00 175.30 175.86 2gwh s ILE 111 N -1.89 2.46 0.21 1.52 1.01 -1.26 -1.09 121.20 122.16 2gwh s ILE 111 Ca 0.57 -1.92 0.04 0.00 0.00 0.00 0.00 60.65 59.35 2gwh s ILE 111 Cb -0.15 -2.61 -0.03 0.00 0.01 0.00 0.00 42.46 39.68 2gwh s ILE 111 CO 0.19 -0.33 0.30 -0.76 0.00 0.00 0.00 174.94 174.34 2gwh s LEU 112 N 1.05 4.23 0.01 2.97 1.43 0.22 -3.90 118.68 124.68 2gwh s LEU 112 Ca 0.01 0.05 0.06 0.00 -1.03 0.00 0.00 54.13 53.22 2gwh s LEU 112 Cb -0.20 -2.78 -0.02 0.00 0.03 0.00 0.00 46.19 43.22 2gwh s LEU 112 CO -0.05 -0.02 -0.18 -0.75 0.23 0.00 0.00 176.35 175.58 2gwh s LYS 113 N -3.68 1.34 0.03 1.70 2.20 0.29 -0.61 119.74 121.01 2gwh s LYS 113 Ca 0.34 -0.71 -0.11 0.00 -0.36 0.00 0.00 55.97 55.12 2gwh s LYS 113 Cb -0.10 -1.34 0.01 0.00 -1.51 0.00 0.00 37.83 34.89 2gwh s LYS 113 CO 0.28 0.36 0.24 -0.08 -0.36 0.00 0.00 175.35 175.78 2gwh s THR 114 N -0.55 0.09 -1.25 3.43 -1.32 -0.68 -1.40 115.64 113.96 2gwh s THR 114 Ca 0.06 -0.74 0.13 0.00 -1.21 0.00 0.00 61.69 59.93 2gwh s THR 114 Cb -0.07 -0.81 0.33 0.00 -1.51 0.00 0.00 72.50 70.44 2gwh s THR 114 CO 0.00 -0.41 1.24 1.41 -2.21 0.00 0.00 174.62 174.66 2gwh n HIS 115 N 0.85 0.46 -1.94 9.09 8.25 -1.26 -2.24 115.22 128.44 2gwh n HIS 115 Ca -0.20 -0.41 -0.41 0.00 -0.26 0.00 0.00 57.72 56.45 2gwh n HIS 115 Cb 0.58 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.66 2gwh n HIS 115 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2gwh s LEU 116 N -1.03 4.37 0.72 2.41 1.43 -1.26 -4.73 118.68 120.60 2gwh s LEU 116 Ca 0.26 2.87 -0.15 0.00 -1.03 0.00 0.00 54.13 56.09 2gwh s LEU 116 Cb 0.14 -3.66 0.04 0.00 0.03 0.00 0.00 46.19 42.74 2gwh s LEU 116 CO 0.19 -0.73 1.19 -2.16 0.23 0.00 0.00 176.35 175.07 2gwh s PRO 117 N -1.74 2.22 0.22 1.29 0.04 -1.26 -4.85 135.00 130.92 2gwh s PRO 117 Ca 0.52 1.69 -0.08 0.00 0.04 0.00 0.00 61.00 63.18 2gwh s PRO 117 Cb -0.44 -1.85 0.31 0.00 0.04 0.00 0.00 34.50 32.57 2gwh s PRO 117 CO 0.57 -1.75 1.78 0.35 0.04 0.00 0.00 177.00 177.99 2gwh h PHE 118 N -0.28 0.64 0.00 0.56 3.57 -1.90 -1.03 116.94 118.50 2gwh h PHE 118 Ca -0.47 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.06 2gwh h PHE 118 Cb 1.29 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.85 2gwh h PHE 118 CO 0.48 0.24 0.01 1.12 -2.23 0.00 0.00 178.31 177.93 2gwh h HIS 119 N 0.61 0.00 -0.37 0.41 2.07 -1.93 -1.30 115.15 114.65 2gwh h HIS 119 Ca 0.34 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.86 2gwh h HIS 119 Cb 0.33 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.31 2gwh h HIS 119 CO -0.10 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.04 2gwh n LEU 120 N -2.92 3.16 -4.71 6.12 4.77 -0.39 -4.98 117.00 118.04 2gwh n LEU 120 Ca -0.03 -1.37 -0.42 0.00 -0.03 0.00 0.00 56.01 54.17 2gwh n LEU 120 Cb 0.07 -0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 2gwh n LEU 120 CO 0.18 0.68 1.17 -0.22 -1.33 0.00 0.00 177.39 177.87 2gwh s LEU 121 N -1.47 4.36 -0.14 2.23 2.96 -0.49 -4.91 118.68 121.21 2gwh s LEU 121 Ca 0.38 2.42 -0.37 0.00 -0.22 0.00 0.00 54.13 56.34 2gwh s LEU 121 Cb 0.22 -3.58 -0.14 0.00 0.50 0.00 0.00 46.19 43.18 2gwh s LEU 121 CO 0.31 -0.75 1.74 -2.65 -1.32 0.00 0.00 176.35 173.67 2gwh n PRO 122 N 4.39 1.60 0.28 0.98 -0.02 -1.26 -4.83 135.00 136.14 2gwh n PRO 122 Ca 0.13 0.59 0.14 0.00 -2.02 0.00 0.00 63.50 62.34 2gwh n PRO 122 Cb 0.41 -2.33 0.81 0.00 -0.02 0.00 0.00 33.50 32.37 2gwh n PRO 122 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2gwh h PRO 123 N 7.59 0.00 -0.52 0.52 0.13 -1.90 -2.43 132.00 135.40 2gwh h PRO 123 Ca -0.47 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.73 2gwh h PRO 123 Cb 1.30 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.40 2gwh h PRO 123 CO 0.93 0.08 0.35 1.03 -0.23 0.00 0.00 178.00 180.16 2gwh h SER 124 N 0.00 0.34 -0.17 1.44 0.87 -1.84 0.24 113.55 114.44 2gwh h SER 124 Ca -0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2gwh h SER 124 Cb 0.23 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 2gwh h SER 124 CO 0.01 0.22 0.05 -0.07 -0.53 0.00 0.00 176.83 176.51 2gwh h LEU 125 N 0.39 0.30 0.02 2.23 3.38 -1.72 -0.41 115.31 119.49 2gwh h LEU 125 Ca 0.23 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 2gwh h LEU 125 Cb 0.41 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2gwh h LEU 125 CO -0.06 0.32 -0.19 -0.07 0.09 0.00 0.00 178.44 178.54 2gwh h LEU 126 N 0.34 0.07 -1.12 1.67 3.38 -1.20 -2.45 115.31 115.99 2gwh h LEU 126 Ca 0.08 -0.97 0.08 0.00 0.09 0.00 0.00 57.88 57.16 2gwh h LEU 126 Cb 0.15 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.81 2gwh h LEU 126 CO -0.00 1.08 0.60 -0.08 0.09 0.00 0.00 178.44 180.13 2gwh h GLU 127 N -0.90 0.97 -0.00 1.13 4.57 -0.45 -0.87 114.58 119.02 2gwh h GLU 127 Ca -0.04 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 2gwh h GLU 127 Cb 1.11 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 29.48 2gwh h GLU 127 CO 0.01 0.64 -0.02 1.63 -1.18 0.00 0.00 179.01 180.10 2gwh n LYS 128 N -4.52 0.99 -2.96 1.92 4.76 -0.18 -4.93 118.16 113.24 2gwh n LYS 128 Ca 0.15 -0.20 -0.22 0.00 -2.87 0.00 0.00 58.31 55.18 2gwh n LYS 128 Cb 0.26 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 31.97 2gwh n LYS 128 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2gwh n ASN 129 N -0.83 -5.62 -4.72 4.39 5.15 -0.33 -4.49 115.26 108.80 2gwh n ASN 129 Ca 0.20 -0.24 -0.41 0.00 -0.60 0.00 0.00 54.58 53.54 2gwh n ASN 129 Cb 0.19 -4.58 0.01 0.00 -0.53 0.00 0.00 39.78 34.88 2gwh n ASN 129 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2gwh s LYS 131 N -2.29 4.32 -0.09 0.00 1.02 -1.24 -4.65 119.74 116.81 2gwh s LYS 131 Ca 0.61 1.89 0.04 0.00 0.02 0.00 0.00 55.97 58.54 2gwh s LYS 131 Cb -0.49 -3.50 -0.00 0.00 -0.52 0.00 0.00 37.83 33.31 2gwh s LYS 131 CO 0.58 -0.49 -0.24 0.42 -0.92 0.00 0.00 175.35 174.70 2gwh s ILE 132 N 2.05 2.13 -0.32 2.17 1.01 -0.46 -1.75 121.20 126.03 2gwh s ILE 132 Ca 0.62 -1.01 -0.06 0.00 0.00 0.00 0.00 60.65 60.19 2gwh s ILE 132 Cb -0.30 -1.80 0.03 0.00 0.01 0.00 0.00 42.46 40.39 2gwh s ILE 132 CO 0.26 0.56 0.09 -0.63 0.00 0.00 0.00 174.94 175.22 2gwh s ILE 133 N 0.15 3.82 -0.16 2.92 1.09 0.76 -0.46 121.20 129.31 2gwh s ILE 133 Ca -0.13 -0.95 -0.08 0.00 -1.10 0.00 0.00 60.65 58.39 2gwh s ILE 133 Cb -0.16 -3.08 -0.04 0.00 -1.06 0.00 0.00 42.46 38.11 2gwh s ILE 133 CO 0.07 -0.06 0.11 -0.47 -0.10 0.00 0.00 174.94 174.49 2gwh s TYR 134 N 1.44 3.42 -0.16 3.97 5.04 -0.11 -0.92 117.35 130.04 2gwh s TYR 134 Ca 0.00 0.34 0.02 0.00 -2.44 0.00 0.00 57.07 54.98 2gwh s TYR 134 Cb -0.18 -2.05 0.02 0.00 0.35 0.00 0.00 41.96 40.09 2gwh s TYR 134 CO 0.02 0.42 -0.20 0.08 -1.34 0.00 0.00 175.55 174.53 2gwh s VAL 135 N -0.15 1.98 0.07 3.14 1.01 -0.71 0.02 120.40 125.76 2gwh s VAL 135 Ca 0.10 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.19 2gwh s VAL 135 Cb -0.12 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 2gwh s VAL 135 CO 0.01 0.53 0.07 0.00 0.00 0.00 0.00 175.10 175.71 2gwh s ALA 136 N 1.09 3.55 0.07 5.51 0.00 -0.21 -4.21 121.76 127.55 2gwh s ALA 136 Ca -0.01 -1.00 0.04 0.00 0.00 0.00 0.00 51.96 51.00 2gwh s ALA 136 Cb -0.14 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 21.51 2gwh s ALA 136 CO -0.07 0.74 -0.12 0.50 0.00 0.00 0.00 175.76 176.80 2gwh s ARG 137 N -2.30 0.77 0.36 0.00 3.52 -1.26 -0.85 118.95 119.18 2gwh s ARG 137 Ca 0.28 -0.95 -0.28 0.00 -0.13 0.00 0.00 55.73 54.65 2gwh s ARG 137 Cb -0.12 -0.68 -0.12 0.00 -1.56 0.00 0.00 34.95 32.47 2gwh s ARG 137 CO 0.21 0.14 1.41 0.27 -0.81 0.00 0.00 175.30 176.51 2gwh n ASN 138 N 1.19 3.34 0.27 -2.12 0.23 -1.26 -4.76 115.26 112.15 2gwh n ASN 138 Ca -0.21 1.22 0.14 0.00 -0.53 0.00 0.00 54.58 55.20 2gwh n ASN 138 Cb 0.55 -1.56 0.73 0.00 -2.08 0.00 0.00 39.78 37.42 2gwh n ASN 138 CO 0.00 0.00 0.00 1.55 -0.93 0.00 0.00 177.26 177.88 2gwh h PRO 139 N 2.87 0.00 0.12 -0.53 0.13 -1.97 -0.65 132.00 131.96 2gwh h PRO 139 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 2gwh h PRO 139 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2gwh h PRO 139 CO 0.64 0.11 -0.06 0.87 -0.23 0.00 0.00 178.00 179.33 2gwh h LYS 140 N 0.00 -0.16 -0.69 0.86 1.57 -1.98 0.89 116.57 117.06 2gwh h LYS 140 Ca -0.00 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2gwh h LYS 140 Cb 0.39 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 2gwh h LYS 140 CO 0.01 0.32 0.38 -0.44 -0.57 0.00 0.00 179.45 179.15 2gwh h ASP 141 N -0.78 0.84 -0.59 0.86 3.32 -1.93 -2.11 116.42 116.03 2gwh h ASP 141 Ca -0.02 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 2gwh h ASP 141 Cb 0.55 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 2gwh h ASP 141 CO 0.03 0.67 0.33 -1.13 -1.72 0.00 0.00 179.24 177.42 2gwh h ASN 142 N 0.95 0.74 -0.23 6.45 -0.00 -1.09 -1.03 115.58 121.37 2gwh h ASN 142 Ca 0.24 -0.09 0.00 0.00 -0.00 0.00 0.00 56.30 56.46 2gwh h ASN 142 Cb 0.01 -0.19 -0.01 0.00 -0.00 0.00 0.00 38.32 38.13 2gwh h ASN 142 CO -0.04 0.61 0.15 -0.03 -0.00 0.00 0.00 177.43 178.12 2gwh h MET 143 N 0.80 0.30 -0.19 6.67 4.05 -0.42 -1.37 114.93 124.77 2gwh h MET 143 Ca 0.21 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.61 2gwh h MET 143 Cb 0.03 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.76 2gwh h MET 143 CO -0.03 0.21 0.10 0.28 0.23 0.00 0.00 176.91 177.70 2gwh h VAL 144 N 0.30 1.10 -0.79 -5.77 2.07 -1.27 -0.12 116.25 111.78 2gwh h VAL 144 Ca 0.08 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.35 2gwh h VAL 144 Cb -0.02 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 2gwh h VAL 144 CO -0.02 0.10 0.51 -1.28 0.02 0.00 0.00 177.57 176.90 2gwh h SER 145 N 0.20 0.85 0.03 0.57 0.87 -1.06 -2.19 113.55 112.82 2gwh h SER 145 Ca 0.07 -0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.46 2gwh h SER 145 Cb 0.07 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 2gwh h SER 145 CO -0.01 0.59 -0.56 0.22 -0.53 0.00 0.00 176.83 176.55 2gwh h TYR 146 N 1.00 0.70 0.15 2.24 5.03 -1.07 -1.79 116.97 123.23 2gwh h TYR 146 Ca 0.31 -0.25 0.02 0.00 2.58 0.00 0.00 58.73 61.39 2gwh h TYR 146 Cb -0.02 -0.13 -0.04 0.00 1.55 0.00 0.00 36.73 38.08 2gwh h TYR 146 CO -0.03 0.98 -0.44 -0.92 -1.32 0.00 0.00 178.16 176.44 2gwh h TYR 147 N 0.43 -1.24 0.00 -3.82 3.20 -0.61 -0.72 116.97 114.20 2gwh h TYR 147 Ca 0.01 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.83 2gwh h TYR 147 Cb 1.10 0.52 -0.01 0.00 1.54 0.00 0.00 36.73 39.88 2gwh h TYR 147 CO 0.05 -0.54 -0.37 0.45 -1.64 0.00 0.00 178.16 176.11 2gwh h HIS 148 N -0.70 0.00 -0.51 -3.82 3.86 -1.38 -1.87 115.15 110.73 2gwh h HIS 148 Ca 0.01 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.14 2gwh h HIS 148 Cb 0.71 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.16 2gwh h HIS 148 CO -0.37 0.37 0.01 0.35 0.86 0.00 0.00 177.93 179.15 2gwh h PHE 149 N 0.00 0.97 -0.24 2.45 3.57 -1.10 -2.51 116.94 120.08 2gwh h PHE 149 Ca -0.00 -0.17 -0.10 0.00 3.53 0.00 0.00 57.97 61.23 2gwh h PHE 149 Cb 0.72 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 2gwh h PHE 149 CO 0.00 0.90 -0.29 1.96 -2.23 0.00 0.00 178.31 178.66 2gwh h GLN 150 N 0.76 0.47 -0.45 1.11 4.20 -0.67 0.24 115.11 120.78 2gwh h GLN 150 Ca 0.14 -0.19 0.06 0.00 0.06 0.00 0.00 58.65 58.72 2gwh h GLN 150 Cb 0.51 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.22 2gwh h GLN 150 CO 0.02 0.71 0.16 0.00 -0.67 0.00 0.00 178.83 179.05 2gwh h ARG 151 N 0.41 0.32 0.00 1.46 3.08 -1.26 -3.31 114.38 115.08 2gwh h ARG 151 Ca 0.06 -0.02 -0.26 0.00 0.07 0.00 0.00 59.98 59.83 2gwh h ARG 151 Cb 0.71 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.65 2gwh h ARG 151 CO 0.05 0.21 -1.52 0.00 -1.07 0.00 0.00 179.97 177.65 2gwh h MET 152 N 0.32 0.00 -4.45 0.04 -0.00 -1.13 -3.45 114.93 106.26 2gwh h MET 152 Ca 0.21 0.00 -0.73 0.00 -0.00 0.00 0.00 59.70 59.18 2gwh h MET 152 Cb 0.21 0.00 -0.21 0.00 -0.00 0.00 0.00 31.60 31.59 2gwh h MET 152 CO -0.22 0.56 -0.34 1.21 -0.00 0.00 0.00 176.91 178.12 2gwh s ASN 153 N -6.17 6.14 0.00 -0.10 3.84 0.83 -1.59 114.94 117.88 2gwh s ASN 153 Ca -0.03 -1.10 0.20 0.00 0.21 0.00 0.00 52.86 52.14 2gwh s ASN 153 Cb 0.08 -2.18 0.92 0.00 -0.55 0.00 0.00 41.25 39.52 2gwh s ASN 153 CO 0.82 -0.58 1.65 0.29 -2.79 0.00 0.00 177.10 176.48 2gwh n LYS 154 N 5.27 0.10 0.06 0.43 4.76 0.72 -2.17 118.16 127.33 2gwh n LYS 154 Ca -0.11 0.13 0.12 0.00 -2.87 0.00 0.00 58.31 55.58 2gwh n LYS 154 Cb 0.45 -1.50 0.47 0.00 -1.84 0.00 0.00 35.03 32.61 2gwh n LYS 154 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2gwh n ALA 155 N -1.43 2.03 -2.65 7.82 0.00 -1.26 -1.66 120.51 123.37 2gwh n ALA 155 Ca 0.07 -0.03 -0.22 0.00 0.00 0.00 0.00 53.44 53.26 2gwh n ALA 155 Cb 0.21 -1.40 -0.05 0.00 0.00 0.00 0.00 19.45 18.21 2gwh n ALA 155 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2gwh s LEU 156 N -3.73 3.56 0.59 0.00 1.43 -0.92 -4.63 118.68 114.99 2gwh s LEU 156 Ca 0.10 -0.47 -0.20 0.00 -1.03 0.00 0.00 54.13 52.52 2gwh s LEU 156 Cb 0.13 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 2gwh s LEU 156 CO 0.46 -0.16 1.33 -2.84 0.23 0.00 0.00 176.35 175.37 2gwh s PRO 157 N -3.86 2.86 0.15 1.29 0.02 -1.26 -4.71 135.00 129.49 2gwh s PRO 157 Ca 0.36 2.16 -0.31 0.00 0.02 0.00 0.00 61.00 63.22 2gwh s PRO 157 Cb -0.06 -2.06 -0.10 0.00 0.02 0.00 0.00 34.50 32.30 2gwh s PRO 157 CO 0.24 -1.39 1.60 0.00 -0.33 0.00 0.00 177.00 177.13 2gwh s ALA 158 N -1.34 3.78 -0.81 -1.55 0.00 -1.26 -4.75 121.76 115.82 2gwh s ALA 158 Ca 0.77 1.37 0.21 0.00 0.00 0.00 0.00 51.96 54.32 2gwh s ALA 158 Cb -0.39 -3.65 0.87 0.00 0.00 0.00 0.00 23.12 19.95 2gwh s ALA 158 CO 0.44 -0.86 1.67 -0.35 0.00 0.00 0.00 175.76 176.66 2gwh n PRO 159 N 4.26 0.09 0.00 0.00 -0.04 -1.26 -5.02 135.00 133.03 2gwh n PRO 159 Ca 0.14 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 2gwh n PRO 159 Cb 0.38 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 2gwh n PRO 159 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2gwh n GLY 160 N 0.46 -0.99 3.75 0.55 0.00 -1.26 -3.49 105.19 104.22 2gwh n GLY 160 Ca 0.04 -1.19 -0.31 0.00 0.00 0.00 0.00 46.02 44.56 2gwh n GLY 160 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2gwh s THR 161 N 0.00 3.15 0.24 2.61 -4.23 -1.26 -4.74 115.64 111.41 2gwh s THR 161 Ca 0.00 0.37 -0.05 0.00 -1.18 0.00 0.00 61.69 60.83 2gwh s THR 161 Cb 0.00 -2.81 0.21 0.00 1.34 0.00 0.00 72.50 71.24 2gwh s THR 161 CO 0.00 -0.49 1.71 -0.25 -0.54 0.00 0.00 174.62 175.05 2gwh h TRP 162 N -1.24 0.36 -0.49 3.99 2.91 -1.99 0.14 115.95 119.64 2gwh h TRP 162 Ca -0.44 0.04 -0.05 0.00 1.13 0.00 0.00 58.89 59.57 2gwh h TRP 162 Cb 1.24 -0.05 -0.02 0.00 -0.51 0.00 0.00 29.16 29.82 2gwh h TRP 162 CO 0.56 -0.02 0.11 0.93 -1.03 0.00 0.00 178.44 178.99 2gwh h GLU 163 N 0.34 0.74 -0.03 2.65 3.07 -1.96 -0.64 114.58 118.74 2gwh h GLU 163 Ca 0.40 -0.15 -0.01 0.00 -0.50 0.00 0.00 59.36 59.10 2gwh h GLU 163 Cb 0.64 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.43 2gwh h GLU 163 CO -0.45 0.68 -0.02 0.93 -1.40 0.00 0.00 179.01 178.75 2gwh h GLU 164 N 0.72 0.08 -0.67 2.33 5.08 -1.73 -3.29 114.58 117.10 2gwh h GLU 164 Ca 0.16 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 2gwh h GLU 164 Cb 0.28 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 2gwh h GLU 164 CO -0.00 0.51 0.44 -0.92 -1.00 0.00 0.00 179.01 178.04 2gwh h TYR 165 N -0.35 0.83 -0.88 4.33 3.20 -0.47 -1.29 116.97 122.35 2gwh h TYR 165 Ca 0.01 0.02 0.16 0.00 3.14 0.00 0.00 58.73 62.06 2gwh h TYR 165 Cb 0.49 -0.28 -0.16 0.00 1.54 0.00 0.00 36.73 38.32 2gwh h TYR 165 CO 0.08 0.52 -0.29 0.35 -1.64 0.00 0.00 178.16 177.18 2gwh h PHE 166 N 0.89 -0.74 -0.10 -3.82 3.57 -1.23 0.20 116.94 115.72 2gwh h PHE 166 Ca 0.25 0.09 -0.17 0.00 3.53 0.00 0.00 57.97 61.67 2gwh h PHE 166 Cb -0.09 0.46 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 2gwh h PHE 166 CO -0.03 -0.39 -0.66 0.93 -2.23 0.00 0.00 178.31 175.93 2gwh h GLU 167 N -0.03 0.40 -0.06 1.11 4.39 -1.47 -1.18 114.58 117.74 2gwh h GLU 167 Ca 0.37 -0.30 0.01 0.00 0.34 0.00 0.00 59.36 59.79 2gwh h GLU 167 Cb 0.62 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 2gwh h GLU 167 CO -0.90 0.92 -0.01 1.15 -1.16 0.00 0.00 179.01 179.01 2gwh h THR 168 N 0.29 0.94 -0.34 1.13 2.02 -0.44 -1.10 112.91 115.40 2gwh h THR 168 Ca -0.02 -0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 2gwh h THR 168 Cb 1.21 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 2gwh h THR 168 CO 0.11 0.00 0.09 0.15 0.37 0.00 0.00 175.52 176.24 2gwh h PHE 169 N 0.01 0.56 -0.77 3.16 3.57 -0.62 -1.70 116.94 121.15 2gwh h PHE 169 Ca 0.03 -0.07 0.11 0.00 3.53 0.00 0.00 57.97 61.57 2gwh h PHE 169 Cb 0.04 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.57 2gwh h PHE 169 CO -0.12 0.57 0.50 1.25 -2.23 0.00 0.00 178.31 178.29 2gwh h LEU 170 N 0.39 0.59 -0.01 0.59 5.85 -1.09 -0.52 115.31 121.10 2gwh h LEU 170 Ca 0.11 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2gwh h LEU 170 Cb 0.29 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.22 2gwh h LEU 170 CO 0.00 0.34 -0.03 0.00 -0.34 0.00 0.00 178.44 178.41 2gwh n ALA 171 N -2.46 2.47 -1.12 1.25 0.00 -0.43 -4.92 120.51 115.31 2gwh n ALA 171 Ca 0.13 -0.14 -0.04 0.00 0.00 0.00 0.00 53.44 53.39 2gwh n ALA 171 Cb 0.36 -1.45 -0.02 0.00 0.00 0.00 0.00 19.45 18.35 2gwh n ALA 171 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gwh n GLY 172 N 1.41 0.64 1.95 0.00 0.00 -0.20 -4.88 105.19 104.10 2gwh n GLY 172 Ca 0.10 -0.28 -0.15 0.00 0.00 0.00 0.00 46.02 45.68 2gwh n GLY 172 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2gwh n LYS 173 N -1.95 1.80 -4.58 1.61 5.02 -0.67 -3.62 118.16 115.77 2gwh n LYS 173 Ca -0.04 -1.40 -0.27 0.00 -2.02 0.00 0.00 58.31 54.58 2gwh n LYS 173 Cb 0.25 -1.64 -0.11 0.00 -0.02 0.00 0.00 35.03 33.51 2gwh n LYS 173 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2gwh s VAL 174 N -1.63 2.04 0.30 -0.18 -7.23 -1.26 -4.88 120.40 107.56 2gwh s VAL 174 Ca 0.34 -2.08 -0.29 0.00 -1.81 0.00 0.00 61.98 58.14 2gwh s VAL 174 Cb 0.24 -2.84 -0.11 0.00 0.56 0.00 0.00 36.38 34.23 2gwh s VAL 174 CO -0.04 -0.09 1.48 0.00 -0.31 0.00 0.00 175.10 176.14 2gwh n TRP 176 N 1.69 0.00 -3.22 0.00 8.01 -0.19 -4.88 117.44 118.86 2gwh n TRP 176 Ca 0.05 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.24 2gwh n TRP 176 Cb 0.39 -0.02 0.00 0.00 -2.01 0.00 0.00 31.31 29.68 2gwh n TRP 176 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2gwh n GLY 177 N -2.10 -0.87 3.68 6.99 0.00 -0.47 -4.72 105.19 107.70 2gwh n GLY 177 Ca 0.00 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 2gwh n GLY 177 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gwh s SER 178 N -4.00 6.73 0.21 1.61 0.15 -1.24 -4.59 113.70 112.57 2gwh s SER 178 Ca 0.00 2.24 -0.09 0.00 0.70 0.00 0.00 55.95 58.80 2gwh s SER 178 Cb 0.00 -2.55 0.29 0.00 -1.71 0.00 0.00 66.02 62.05 2gwh s SER 178 CO 0.00 -0.83 1.75 -0.25 1.20 0.00 0.00 173.24 175.11 2gwh h TRP 179 N 8.44 0.43 -0.31 3.44 7.01 -1.89 -1.80 115.95 131.27 2gwh h TRP 179 Ca -0.39 0.03 0.00 0.00 2.11 0.00 0.00 58.89 60.64 2gwh h TRP 179 Cb 1.18 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 28.13 2gwh h TRP 179 CO 0.80 0.12 0.21 0.45 -2.79 0.00 0.00 178.44 177.22 2gwh h HIS 180 N 0.43 0.39 0.00 2.65 3.86 -1.95 -1.44 115.15 119.09 2gwh h HIS 180 Ca 0.31 0.01 -0.12 0.00 -1.16 0.00 0.00 60.37 59.42 2gwh h HIS 180 Cb 0.38 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.70 2gwh h HIS 180 CO -0.16 0.24 -0.55 0.93 0.86 0.00 0.00 177.93 179.26 2gwh h GLU 181 N 0.42 0.00 0.47 2.45 4.39 -1.89 -2.61 114.58 117.81 2gwh h GLU 181 Ca 0.11 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.79 2gwh h GLU 181 Cb -0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 2gwh h GLU 181 CO -0.03 0.55 -0.23 1.25 -1.16 0.00 0.00 179.01 179.40 2gwh h HIS 182 N 0.00 -0.59 -0.61 4.33 2.76 -0.61 -1.21 115.15 119.23 2gwh h HIS 182 Ca -0.01 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.09 2gwh h HIS 182 Cb 0.98 0.19 -0.03 0.00 1.55 0.00 0.00 27.41 30.11 2gwh h HIS 182 CO 0.00 -0.26 0.12 -0.39 -1.30 0.00 0.00 177.93 176.09 2gwh h VAL 183 N -0.97 1.25 -0.30 5.26 -1.51 -1.29 -2.33 116.25 116.35 2gwh h VAL 183 Ca -0.06 -0.94 -0.03 0.00 -1.23 0.00 0.00 66.70 64.43 2gwh h VAL 183 Cb 0.59 0.66 -0.01 0.00 -2.13 0.00 0.00 31.29 30.39 2gwh h VAL 183 CO 0.11 0.35 0.07 0.11 -1.23 0.00 0.00 177.57 176.97 2gwh h LYS 184 N 0.92 0.49 -0.45 5.19 1.57 -1.50 -1.05 116.57 121.73 2gwh h LYS 184 Ca 0.19 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2gwh h LYS 184 Cb 0.37 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 2gwh h LYS 184 CO 0.01 0.57 0.29 0.78 -0.57 0.00 0.00 179.45 180.53 2gwh h GLY 185 N 0.32 0.64 1.79 3.86 0.00 -1.03 -1.31 103.07 107.34 2gwh h GLY 185 Ca 0.09 -0.25 -0.09 0.00 0.00 0.00 0.00 47.33 47.08 2gwh h GLY 185 CO 0.00 0.24 -0.34 1.49 0.00 0.00 0.00 176.54 177.93 2gwh h TRP 186 N 0.61 0.28 -0.41 5.60 4.06 -1.39 -1.00 115.95 123.69 2gwh h TRP 186 Ca 0.16 -0.06 -0.12 0.00 2.06 0.00 0.00 58.89 60.93 2gwh h TRP 186 Cb -0.05 -0.07 -0.01 0.00 -1.00 0.00 0.00 29.16 28.03 2gwh h TRP 186 CO -0.04 0.56 -0.23 2.35 -3.56 0.00 0.00 178.44 177.52 2gwh h TRP 187 N 0.21 1.02 -0.46 0.49 2.91 -0.72 -2.42 115.95 116.98 2gwh h TRP 187 Ca 0.03 -0.26 -0.12 0.00 1.13 0.00 0.00 58.89 59.66 2gwh h TRP 187 Cb 0.71 -0.23 -0.01 0.00 -0.51 0.00 0.00 29.16 29.11 2gwh h TRP 187 CO 0.01 1.05 -0.19 1.49 -1.03 0.00 0.00 178.44 179.77 2gwh h GLU 188 N 0.70 0.91 -0.15 2.65 4.81 -1.10 -2.99 114.58 119.40 2gwh h GLU 188 Ca 0.09 -0.37 -0.01 0.00 -0.13 0.00 0.00 59.36 58.95 2gwh h GLU 188 Cb 0.80 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 2gwh h GLU 188 CO 0.07 1.02 0.06 0.00 -0.73 0.00 0.00 179.01 179.43 2gwh h ALA 189 N 0.98 1.83 0.00 2.92 0.00 -0.95 -2.74 119.26 121.30 2gwh h ALA 189 Ca 0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2gwh h ALA 189 Cb 0.74 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 2gwh h ALA 189 CO 0.06 0.14 -0.03 1.57 0.00 0.00 0.00 179.25 180.99 2gwh h LYS 190 N 0.21 0.00 0.00 0.00 2.10 -1.28 -1.34 116.57 116.25 2gwh h LYS 190 Ca 0.05 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.67 2gwh h LYS 190 Cb 0.04 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.37 2gwh h LYS 190 CO -0.01 0.03 -0.14 -0.44 -2.00 0.00 0.00 179.45 176.89 2gwh h ASP 191 N 0.00 0.00 0.00 7.07 3.32 -1.65 -3.32 116.42 121.84 2gwh h ASP 191 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2gwh h ASP 191 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2gwh h ASP 191 CO 0.00 0.14 -0.90 0.29 -1.72 0.00 0.00 179.24 177.05 2gwh n LYS 192 N -3.25 1.32 -4.47 3.56 5.02 -0.81 -5.08 118.16 114.46 2gwh n LYS 192 Ca 0.01 -0.02 -0.23 0.00 -2.02 0.00 0.00 58.31 56.05 2gwh n LYS 192 Cb 0.42 -0.96 -0.10 0.00 -0.02 0.00 0.00 35.03 34.36 2gwh n LYS 192 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2gwh s HIS 193 N -1.96 2.09 -1.43 2.13 3.76 -0.57 -5.05 115.29 114.26 2gwh s HIS 193 Ca -0.00 -0.69 -0.14 0.00 -0.15 0.00 0.00 55.06 54.07 2gwh s HIS 193 Cb 0.01 -1.25 0.05 0.00 1.11 0.00 0.00 32.58 32.51 2gwh s HIS 193 CO 0.09 0.32 2.14 -2.13 -0.85 0.00 0.00 174.74 174.31 2gwh n ARG 194 N -0.67 2.94 -5.19 1.40 0.63 -1.26 -4.66 116.66 109.84 2gwh n ARG 194 Ca -0.05 -2.75 -0.32 0.00 -0.92 0.00 0.00 57.85 53.81 2gwh n ARG 194 Cb 0.64 -3.30 -0.17 0.00 0.45 0.00 0.00 32.46 30.09 2gwh n ARG 194 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2gwh s ILE 195 N 3.17 2.14 -0.31 5.15 1.01 -1.26 -1.36 121.20 129.74 2gwh s ILE 195 Ca 0.47 -1.00 -0.14 0.00 0.00 0.00 0.00 60.65 59.99 2gwh s ILE 195 Cb 0.12 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.75 2gwh s ILE 195 CO -0.06 0.56 0.30 -0.22 0.00 0.00 0.00 174.94 175.52 2gwh s LEU 196 N 0.28 4.28 -0.33 2.97 2.96 0.39 -4.89 118.68 124.33 2gwh s LEU 196 Ca -0.17 -0.11 -0.10 0.00 -0.22 0.00 0.00 54.13 53.53 2gwh s LEU 196 Cb -0.17 -2.27 0.01 0.00 0.50 0.00 0.00 46.19 44.26 2gwh s LEU 196 CO 0.08 -0.22 0.16 -0.47 -1.32 0.00 0.00 176.35 174.58 2gwh s TYR 197 N 1.92 3.20 0.34 5.38 5.04 -1.26 -0.94 117.35 131.03 2gwh s TYR 197 Ca 0.10 -0.80 0.09 0.00 -2.44 0.00 0.00 57.07 54.02 2gwh s TYR 197 Cb -0.16 -2.37 -0.05 0.00 0.35 0.00 0.00 41.96 39.72 2gwh s TYR 197 CO 0.11 -0.55 0.06 -0.51 -1.34 0.00 0.00 175.55 173.31 2gwh s LEU 198 N 1.57 3.07 -0.11 6.97 1.43 0.10 -5.00 118.68 126.72 2gwh s LEU 198 Ca 0.03 -0.93 0.02 0.00 -1.03 0.00 0.00 54.13 52.23 2gwh s LEU 198 Cb -0.18 -1.47 0.01 0.00 0.03 0.00 0.00 46.19 44.58 2gwh s LEU 198 CO 0.06 -0.26 -0.17 -0.36 0.23 0.00 0.00 176.35 175.84 2gwh s PHE 199 N -2.49 2.11 0.32 0.29 0.08 -1.26 -1.05 117.98 115.98 2gwh s PHE 199 Ca 0.36 -0.97 0.09 0.00 0.12 0.00 0.00 56.93 56.52 2gwh s PHE 199 Cb -0.01 -1.49 0.95 0.00 -0.57 0.00 0.00 43.02 41.91 2gwh s PHE 199 CO 0.20 -0.47 1.61 -0.92 -0.10 0.00 0.00 175.22 175.54 2gwh h TYR 200 N 7.27 0.45 -0.11 0.36 3.20 -1.24 -1.34 116.97 125.56 2gwh h TYR 200 Ca -0.30 0.05 -0.13 0.00 3.14 0.00 0.00 58.73 61.49 2gwh h TYR 200 Cb 1.19 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.41 2gwh h TYR 200 CO 0.48 -0.34 -0.50 0.93 -1.64 0.00 0.00 178.16 177.08 2gwh h GLU 201 N 0.11 0.30 -0.29 1.82 3.07 -1.92 -0.28 114.58 117.39 2gwh h GLU 201 Ca 0.67 -0.17 -0.14 0.00 -0.50 0.00 0.00 59.36 59.22 2gwh h GLU 201 Cb 1.54 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 29.46 2gwh h GLU 201 CO -0.76 0.73 -0.38 -0.44 -1.40 0.00 0.00 179.01 176.76 2gwh h ASP 202 N 0.24 0.83 -0.77 1.42 3.32 -1.68 -0.83 116.42 118.95 2gwh h ASP 202 Ca 0.01 -0.50 0.03 0.00 0.02 0.00 0.00 57.03 56.59 2gwh h ASP 202 Cb 0.96 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 40.23 2gwh h ASP 202 CO 0.08 1.17 0.51 0.24 -1.72 0.00 0.00 179.24 179.51 2gwh h MET 203 N 0.52 0.92 0.07 3.56 2.86 -0.87 -0.72 114.93 121.26 2gwh h MET 203 Ca 0.03 -0.06 -0.28 0.00 -2.06 0.00 0.00 59.70 57.34 2gwh h MET 203 Cb 0.97 -0.21 0.02 0.00 0.06 0.00 0.00 31.60 32.45 2gwh h MET 203 CO 0.09 0.61 -1.15 -0.22 1.06 0.00 0.00 176.91 177.30 2gwh h LYS 204 N 0.94 0.62 -0.02 1.72 1.63 -0.88 -2.75 116.57 117.83 2gwh h LYS 204 Ca 0.30 -0.75 -0.19 0.00 -0.85 0.00 0.00 60.65 59.16 2gwh h LYS 204 Cb 0.04 0.24 0.01 0.00 -0.60 0.00 0.00 32.23 31.92 2gwh h LYS 204 CO -0.09 1.33 -0.74 -0.22 -3.45 0.00 0.00 179.45 176.29 2gwh h LYS 205 N 0.31 0.54 -2.30 1.90 1.63 -0.85 -3.39 116.57 114.41 2gwh h LYS 205 Ca -0.16 -0.55 -0.58 0.00 -0.85 0.00 0.00 60.65 58.51 2gwh h LYS 205 Cb 1.81 0.15 -0.39 0.00 -0.60 0.00 0.00 32.23 33.20 2gwh h LYS 205 CO 0.22 1.18 -0.95 -1.71 -3.45 0.00 0.00 179.45 174.73 2gwh n ASN 206 N -4.09 0.43 -0.31 4.20 2.85 -0.30 -5.00 115.26 113.04 2gwh n ASN 206 Ca -0.10 -2.65 0.06 0.00 -0.11 0.00 0.00 54.58 51.78 2gwh n ASN 206 Cb 0.73 -0.61 0.27 0.00 1.24 0.00 0.00 39.78 41.41 2gwh n ASN 206 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2gwh h PRO 207 N 4.94 0.93 -0.49 1.20 0.13 -1.65 -2.30 132.00 134.77 2gwh h PRO 207 Ca 0.18 -0.06 -0.07 0.00 -0.87 0.00 0.00 66.00 65.19 2gwh h PRO 207 Cb 0.86 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 31.76 2gwh h PRO 207 CO 0.47 0.62 0.04 -0.22 -0.23 0.00 0.00 178.00 178.68 2gwh h LYS 208 N 0.96 0.84 -0.61 0.86 3.64 -1.93 -0.81 116.57 119.52 2gwh h LYS 208 Ca 0.42 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2gwh h LYS 208 Cb 0.34 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 2gwh h LYS 208 CO -0.18 0.86 0.40 1.25 -2.27 0.00 0.00 179.45 179.51 2gwh h HIS 209 N 0.71 0.77 -0.00 1.91 2.76 -1.81 -0.16 115.15 119.32 2gwh h HIS 209 Ca 0.14 0.02 -0.15 0.00 -2.20 0.00 0.00 60.37 58.18 2gwh h HIS 209 Cb 0.45 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 29.13 2gwh h HIS 209 CO 0.03 0.49 -0.69 0.93 -1.30 0.00 0.00 177.93 177.39 2gwh h GLU 210 N 0.82 0.02 -0.57 5.26 4.39 -1.29 -2.06 114.58 121.15 2gwh h GLU 210 Ca 0.22 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.82 2gwh h GLU 210 Cb -0.09 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 2gwh h GLU 210 CO -0.05 0.70 0.02 0.82 -1.16 0.00 0.00 179.01 179.34 2gwh h ILE 211 N 0.01 1.26 -0.71 3.13 2.04 -0.82 -0.97 117.51 121.46 2gwh h ILE 211 Ca -0.01 -1.10 -0.07 0.00 1.00 0.00 0.00 64.86 64.68 2gwh h ILE 211 Cb 1.22 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 38.12 2gwh h ILE 211 CO 0.09 0.40 0.19 1.56 0.00 0.00 0.00 178.15 180.39 2gwh h GLN 212 N 0.88 1.12 -0.23 2.37 4.20 -0.86 -0.16 115.11 122.43 2gwh h GLN 212 Ca 0.16 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 2gwh h GLN 212 Cb 0.52 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 2gwh h GLN 212 CO 0.03 0.98 0.11 -0.22 -0.67 0.00 0.00 178.83 179.06 2gwh h LYS 213 N 1.06 0.34 -0.72 1.46 3.64 -1.23 -1.61 116.57 119.52 2gwh h LYS 213 Ca 0.22 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2gwh h LYS 213 Cb 0.35 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.08 2gwh h LYS 213 CO -0.00 0.36 0.45 -0.07 -2.27 0.00 0.00 179.45 177.92 2gwh h LEU 214 N 0.24 0.86 -0.58 5.20 3.38 -0.91 -1.91 115.31 121.59 2gwh h LEU 214 Ca 0.08 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2gwh h LEU 214 Cb 0.14 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 2gwh h LEU 214 CO -0.01 0.66 0.36 0.00 0.09 0.00 0.00 178.44 179.54 2gwh h ALA 215 N 1.24 0.73 -0.68 1.53 0.00 -0.74 -0.35 119.26 120.99 2gwh h ALA 215 Ca 0.26 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 2gwh h ALA 215 Cb -0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 2gwh h ALA 215 CO -0.05 0.19 0.18 1.49 0.00 0.00 0.00 179.25 181.06 2gwh h GLU 216 N 0.78 1.08 -0.31 0.00 4.57 -1.10 0.67 114.58 120.27 2gwh h GLU 216 Ca 0.21 -0.25 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2gwh h GLU 216 Cb -0.05 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.37 2gwh h GLU 216 CO -0.04 0.95 0.18 0.35 -1.18 0.00 0.00 179.01 179.27 2gwh h PHE 217 N 1.02 0.42 0.00 0.92 3.57 -0.99 -2.83 116.94 119.04 2gwh h PHE 217 Ca 0.22 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 2gwh h PHE 217 Cb 0.34 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 2gwh h PHE 217 CO 0.03 0.33 -0.22 0.82 -2.23 0.00 0.00 178.31 177.03 2gwh h ILE 218 N 0.39 0.61 0.00 1.41 2.04 -0.93 -3.47 117.51 117.56 2gwh h ILE 218 Ca 0.11 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.95 2gwh h ILE 218 Cb 0.04 1.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 2gwh h ILE 218 CO -0.02 0.22 0.00 0.61 0.00 0.00 0.00 178.15 178.96 2gwh n GLY 219 N -0.08 0.96 3.70 5.37 0.00 0.05 -5.08 105.19 110.11 2gwh n GLY 219 Ca -0.00 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 2gwh n GLY 219 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gwh s LYS 220 N -0.58 4.22 -0.64 1.61 -0.14 -0.15 -4.99 119.74 119.07 2gwh s LYS 220 Ca 0.00 0.14 -0.18 0.00 -1.36 0.00 0.00 55.97 54.57 2gwh s LYS 220 Cb 0.00 -3.48 0.12 0.00 -1.68 0.00 0.00 37.83 32.79 2gwh s LYS 220 CO 0.00 0.11 0.72 0.21 -0.76 0.00 0.00 175.35 175.63 2gwh s LYS 221 N 0.84 3.14 -0.16 1.68 2.36 -1.26 -4.27 119.74 122.07 2gwh s LYS 221 Ca 0.18 -1.53 -0.08 0.00 -2.55 0.00 0.00 55.97 51.99 2gwh s LYS 221 Cb -0.14 -4.34 -0.04 0.00 -1.05 0.00 0.00 37.83 32.26 2gwh s LYS 221 CO 0.06 -1.51 0.10 -0.51 1.55 0.00 0.00 175.35 175.05 2gwh s LEU 222 N 2.28 4.10 0.85 5.43 1.43 -1.26 -5.10 118.68 126.42 2gwh s LEU 222 Ca 0.13 0.25 -0.12 0.00 -1.03 0.00 0.00 54.13 53.36 2gwh s LEU 222 Cb -0.22 -2.03 0.10 0.00 0.03 0.00 0.00 46.19 44.07 2gwh s LEU 222 CO 0.03 0.26 1.10 1.51 0.23 0.00 0.00 176.35 179.48 2gwh s ASP 223 N -0.13 4.01 0.34 2.29 -4.77 -1.26 -4.78 116.67 112.38 2gwh s ASP 223 Ca 0.09 1.35 0.08 0.00 -3.30 0.00 0.00 52.55 50.77 2gwh s ASP 223 Cb -0.12 -2.05 0.77 0.00 -1.09 0.00 0.00 42.92 40.43 2gwh s ASP 223 CO 0.01 -2.28 1.86 -0.78 0.70 0.00 0.00 175.17 174.68 2gwh h ASP 224 N -1.30 0.70 -0.51 2.11 3.58 -1.99 -1.22 116.42 117.79 2gwh h ASP 224 Ca -0.48 0.04 -0.13 0.00 0.42 0.00 0.00 57.03 56.88 2gwh h ASP 224 Cb 1.28 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 42.22 2gwh h ASP 224 CO 0.58 0.36 -0.17 0.11 -2.88 0.00 0.00 179.24 177.23 2gwh h LYS 225 N 0.74 1.02 -0.33 0.28 1.57 -1.99 -1.39 116.57 116.47 2gwh h LYS 225 Ca 0.46 -0.41 -0.14 0.00 -1.87 0.00 0.00 60.65 58.69 2gwh h LYS 225 Cb 0.68 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 2gwh h LYS 225 CO -0.22 1.09 -0.37 0.28 -0.57 0.00 0.00 179.45 179.66 2gwh h VAL 226 N 0.89 1.28 -0.37 0.50 2.07 -1.70 -1.60 116.25 117.32 2gwh h VAL 226 Ca 0.12 -1.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.08 2gwh h VAL 226 Cb 0.75 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 2gwh h VAL 226 CO 0.06 0.50 0.13 -0.07 0.02 0.00 0.00 177.57 178.22 2gwh h LEU 227 N 0.64 0.52 -1.06 2.57 3.38 -1.11 -1.25 115.31 119.00 2gwh h LEU 227 Ca 0.06 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 2gwh h LEU 227 Cb 0.92 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 2gwh h LEU 227 CO 0.08 0.56 0.24 0.44 0.09 0.00 0.00 178.44 179.86 2gwh h ASP 228 N 0.44 0.84 -0.31 -0.43 3.32 -1.16 -1.32 116.42 117.81 2gwh h ASP 228 Ca 0.12 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 2gwh h ASP 228 Cb 0.22 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2gwh h ASP 228 CO -0.01 0.75 0.11 0.50 -1.72 0.00 0.00 179.24 178.87 2gwh h LYS 229 N 0.90 0.47 -0.69 3.56 3.64 -0.91 -1.26 116.57 122.27 2gwh h LYS 229 Ca 0.21 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 2gwh h LYS 229 Cb 0.19 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 2gwh h LYS 229 CO -0.02 0.50 0.29 0.82 -2.27 0.00 0.00 179.45 178.78 2gwh h ILE 230 N 0.34 1.24 -0.48 2.00 2.04 -0.91 -1.02 117.51 120.72 2gwh h ILE 230 Ca 0.10 -0.73 0.07 0.00 1.00 0.00 0.00 64.86 65.30 2gwh h ILE 230 Cb 0.22 0.43 -0.06 0.00 -0.74 0.00 0.00 36.82 36.67 2gwh h ILE 230 CO -0.01 0.30 0.13 0.58 0.00 0.00 0.00 178.15 179.15 2gwh h VAL 231 N 0.98 0.79 0.42 1.67 2.07 -1.09 -1.15 116.25 119.94 2gwh h VAL 231 Ca 0.23 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 2gwh h VAL 231 Cb 0.18 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2gwh h VAL 231 CO -0.02 0.05 -0.22 -0.74 0.02 0.00 0.00 177.57 176.66 2gwh h HIS 232 N 0.29 -0.56 0.00 1.57 -0.00 -0.64 -2.75 115.15 113.05 2gwh h HIS 232 Ca 0.23 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.58 2gwh h HIS 232 Cb 0.28 0.19 -0.00 0.00 -0.00 0.00 0.00 27.41 27.88 2gwh h HIS 232 CO -0.19 -0.34 -0.05 1.88 -0.00 0.00 0.00 177.93 179.23 2gwh h TYR 233 N -0.58 0.00 -0.62 5.26 0.05 -0.99 -2.80 116.97 117.28 2gwh h TYR 233 Ca -0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.73 2gwh h TYR 233 Cb 0.46 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.20 2gwh h TYR 233 CO -0.06 0.05 0.00 0.25 -1.05 0.00 0.00 178.16 177.35 2gwh n THR 234 N -3.18 1.06 -2.13 -2.88 -2.24 -0.45 -4.21 114.28 100.24 2gwh n THR 234 Ca -0.00 -1.02 -0.35 0.00 -2.27 0.00 0.00 64.05 60.41 2gwh n THR 234 Cb 0.30 0.47 0.02 0.00 -2.10 0.00 0.00 70.33 69.01 2gwh n THR 234 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2gwh s SER 235 N -1.00 5.51 0.15 3.42 1.04 -1.04 -4.85 113.70 116.91 2gwh s SER 235 Ca 0.42 2.21 -0.21 0.00 0.48 0.00 0.00 55.95 58.85 2gwh s SER 235 Cb 0.23 -2.58 0.02 0.00 0.10 0.00 0.00 66.02 63.78 2gwh s SER 235 CO 0.28 -1.37 1.65 0.15 0.98 0.00 0.00 173.24 174.93 2gwh h PHE 236 N 0.97 -0.47 -0.95 5.02 3.57 -1.93 -1.04 116.94 122.12 2gwh h PHE 236 Ca -0.50 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.11 2gwh h PHE 236 Cb 1.27 0.24 -0.07 0.00 2.79 0.00 0.00 35.95 40.18 2gwh h PHE 236 CO 0.50 -0.26 0.61 -0.44 -2.23 0.00 0.00 178.31 176.50 2gwh h ASP 237 N -0.19 0.94 -0.02 0.41 3.32 -1.95 0.15 116.42 119.09 2gwh h ASP 237 Ca 0.13 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 2gwh h ASP 237 Cb 0.38 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.75 2gwh h ASP 237 CO -0.33 0.59 -0.12 0.58 -1.72 0.00 0.00 179.24 178.23 2gwh h VAL 238 N 1.06 1.51 -0.54 -1.35 2.07 -1.77 -3.24 116.25 113.99 2gwh h VAL 238 Ca 0.42 -1.68 -0.04 0.00 0.82 0.00 0.00 66.70 66.22 2gwh h VAL 238 Cb 0.25 2.56 -0.03 0.00 -1.52 0.00 0.00 31.29 32.56 2gwh h VAL 238 CO -0.17 0.45 0.16 0.24 0.02 0.00 0.00 177.57 178.27 2gwh h MET 239 N -0.51 0.81 -0.89 1.57 2.86 -0.87 -2.33 114.93 115.57 2gwh h MET 239 Ca -0.01 -0.15 0.15 0.00 -2.06 0.00 0.00 59.70 57.63 2gwh h MET 239 Cb 0.80 -0.13 -0.07 0.00 0.06 0.00 0.00 31.60 32.26 2gwh h MET 239 CO 0.02 0.71 0.58 -0.22 1.06 0.00 0.00 176.91 179.06 2gwh h LYS 240 N 0.79 0.66 -0.01 1.72 3.64 -0.77 -1.91 116.57 120.69 2gwh h LYS 240 Ca 0.18 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2gwh h LYS 240 Cb 0.24 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 2gwh h LYS 240 CO -0.01 0.43 -0.36 1.04 -2.27 0.00 0.00 179.45 178.28 2gwh n GLN 241 N -4.57 0.86 -2.75 1.90 3.00 -0.92 -4.80 117.38 110.11 2gwh n GLN 241 Ca 0.18 -0.59 -0.43 0.00 -0.01 0.00 0.00 57.00 56.15 2gwh n GLN 241 Cb 0.49 -1.49 -0.04 0.00 0.00 0.00 0.00 30.24 29.20 2gwh n GLN 241 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 2gwh s ASN 242 N -2.54 6.39 0.31 1.08 3.84 -0.72 -4.92 114.94 118.37 2gwh s ASN 242 Ca 0.21 -0.16 0.23 0.00 0.21 0.00 0.00 52.86 53.36 2gwh s ASN 242 Cb 0.19 -2.48 1.12 0.00 -0.55 0.00 0.00 41.25 39.53 2gwh s ASN 242 CO 0.56 -1.31 1.69 -0.81 -2.79 0.00 0.00 177.10 174.45 2gwh n PRO 243 N 7.79 0.17 0.00 0.43 -0.04 -1.26 -0.99 135.00 141.10 2gwh n PRO 243 Ca 0.04 0.56 0.12 0.00 -0.04 0.00 0.00 63.50 64.19 2gwh n PRO 243 Cb 0.48 -1.94 0.31 0.00 -0.04 0.00 0.00 33.50 32.31 2gwh n PRO 243 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2gwh n MET 244 N -2.27 0.45 0.00 0.54 2.81 -1.26 -4.40 117.12 112.98 2gwh n MET 244 Ca -0.00 -0.27 0.00 0.00 -1.81 0.00 0.00 57.70 55.62 2gwh n MET 244 Cb 0.11 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.13 2gwh n MET 244 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2gwh n ALA 245 N -1.04 1.73 -0.09 3.04 0.00 -0.16 -1.34 120.51 122.65 2gwh n ALA 245 Ca 0.09 -0.32 0.05 0.00 0.00 0.00 0.00 53.44 53.26 2gwh n ALA 245 Cb 0.34 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.92 2gwh n ALA 245 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2gwh n ASN 246 N -0.05 2.74 -0.43 0.00 0.23 -0.90 -4.90 115.26 111.95 2gwh n ASN 246 Ca 0.00 -1.93 -0.06 0.00 -0.53 0.00 0.00 54.58 52.07 2gwh n ASN 246 Cb 0.07 -0.19 -0.02 0.00 -2.08 0.00 0.00 39.78 37.56 2gwh n ASN 246 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 2gwh n TYR 247 N 0.47 0.00 0.28 -2.53 4.02 -1.26 -4.47 117.16 113.67 2gwh n TYR 247 Ca 0.10 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.12 2gwh n TYR 247 Cb 0.40 -1.84 0.80 0.00 -0.02 0.00 0.00 39.34 38.67 2gwh n TYR 247 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2gwh h SER 248 N 0.00 0.00 0.44 7.72 4.64 -1.92 -2.87 113.55 121.55 2gwh h SER 248 Ca -0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 2gwh h SER 248 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 2gwh h SER 248 CO 0.17 0.06 -0.09 -1.54 -0.87 0.00 0.00 176.83 174.56 2gwh n SER 249 N -3.86 0.33 -4.76 4.97 3.41 -1.26 -4.84 113.62 107.60 2gwh n SER 249 Ca -0.03 -0.42 -0.41 0.00 -0.26 0.00 0.00 58.87 57.75 2gwh n SER 249 Cb 0.15 -0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 63.95 2gwh n SER 249 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2gwh s ILE 250 N -2.53 2.87 0.07 -1.33 -1.09 -1.09 -4.90 121.20 113.21 2gwh s ILE 250 Ca 0.28 0.86 -0.37 0.00 -2.23 0.00 0.00 60.65 59.18 2gwh s ILE 250 Cb 0.20 -3.54 -0.17 0.00 -1.58 0.00 0.00 42.46 37.36 2gwh s ILE 250 CO 0.48 0.19 1.28 -2.65 -1.23 0.00 0.00 174.94 173.01 2gwh n PRO 251 N 1.11 0.92 0.32 2.79 -0.02 -1.26 -4.75 135.00 134.11 2gwh n PRO 251 Ca 0.01 0.33 0.19 0.00 -2.02 0.00 0.00 63.50 62.01 2gwh n PRO 251 Cb 0.42 -1.94 1.03 0.00 -0.02 0.00 0.00 33.50 33.00 2gwh n PRO 251 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2gwh h ALA 252 N 4.19 1.22 0.00 3.55 0.00 -1.91 -0.01 119.26 126.29 2gwh h ALA 252 Ca -0.48 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.31 2gwh h ALA 252 Cb 1.35 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 2gwh h ALA 252 CO 0.75 -0.15 -0.58 0.93 0.00 0.00 0.00 179.25 180.20 2gwh h GLU 253 N 0.00 0.00 0.00 0.00 3.07 -2.00 -3.35 114.58 112.30 2gwh h GLU 253 Ca 0.01 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 2gwh h GLU 253 Cb 0.29 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.20 2gwh h GLU 253 CO -0.00 0.58 -0.21 0.82 -1.40 0.00 0.00 179.01 178.79 2gwh h ILE 254 N 0.00 0.13 -3.31 3.13 1.08 -1.35 -3.43 117.51 113.75 2gwh h ILE 254 Ca -0.01 -1.12 -0.66 0.00 -0.39 0.00 0.00 64.86 62.69 2gwh h ILE 254 Cb 1.34 0.27 -0.28 0.00 -3.07 0.00 0.00 36.82 35.08 2gwh h ILE 254 CO 0.07 0.04 -0.77 -0.04 -0.69 0.00 0.00 178.15 176.77 2gwh s MET 255 N -1.84 3.34 -0.55 2.37 -1.94 -0.94 -0.20 119.30 119.53 2gwh s MET 255 Ca -0.07 -0.70 -0.07 0.00 -1.71 0.00 0.00 55.69 53.15 2gwh s MET 255 Cb 0.01 -2.67 0.14 0.00 2.01 0.00 0.00 34.83 34.32 2gwh s MET 255 CO 0.13 0.12 0.40 0.34 -0.01 0.00 0.00 175.02 176.00 2gwh s ASP 256 N 0.59 5.60 0.35 3.03 -1.08 -0.62 -4.37 116.67 120.17 2gwh s ASP 256 Ca -0.08 -2.34 0.26 0.00 -0.52 0.00 0.00 52.55 49.87 2gwh s ASP 256 Cb -0.16 -1.95 1.19 0.00 -1.46 0.00 0.00 42.92 40.54 2gwh s ASP 256 CO 0.03 -0.54 1.80 0.45 0.52 0.00 0.00 175.17 177.42 2gwh h HIS 257 N 7.82 0.00 0.00 -5.34 3.86 -1.87 -1.57 115.15 118.05 2gwh h HIS 257 Ca -0.09 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.08 2gwh h HIS 257 Cb 1.02 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.49 2gwh h HIS 257 CO 0.69 0.00 -0.18 0.66 0.86 0.00 0.00 177.93 179.97 2gwh h SER 258 N 0.00 0.00 0.07 2.45 4.64 -1.98 -2.66 113.55 116.08 2gwh h SER 258 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2gwh h SER 258 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2gwh h SER 258 CO 0.00 0.18 -0.03 0.40 -0.87 0.00 0.00 176.83 176.51 2gwh h ILE 259 N 0.00 1.00 -2.43 0.95 2.04 -1.67 -3.46 117.51 113.94 2gwh h ILE 259 Ca -0.00 -1.50 -0.08 0.00 1.00 0.00 0.00 64.86 64.28 2gwh h ILE 259 Cb 0.77 1.80 -0.24 0.00 -0.74 0.00 0.00 36.82 38.42 2gwh h ILE 259 CO 0.02 0.30 -0.14 -0.55 0.00 0.00 0.00 178.15 177.79 2gwh s SER 260 N -5.74 -0.62 0.58 1.72 0.15 -1.20 -4.95 113.70 103.64 2gwh s SER 260 Ca -0.12 1.10 -0.16 0.00 0.70 0.00 0.00 55.95 57.46 2gwh s SER 260 Cb -0.01 1.04 -0.04 0.00 -1.71 0.00 0.00 66.02 65.30 2gwh s SER 260 CO 0.45 -0.20 1.05 -2.84 1.20 0.00 0.00 173.24 172.91 2gwh s PRO 261 N 0.92 3.39 0.11 5.44 0.02 -1.01 -4.21 135.00 139.66 2gwh s PRO 261 Ca -0.05 1.20 -0.17 0.00 0.02 0.00 0.00 61.00 62.00 2gwh s PRO 261 Cb -0.06 -2.04 -0.04 0.00 0.02 0.00 0.00 34.50 32.38 2gwh s PRO 261 CO -0.08 -0.75 1.60 0.35 -0.33 0.00 0.00 177.00 177.79 2gwh h PHE 262 N 0.54 0.58 -1.85 6.54 3.57 -1.88 -3.21 116.94 121.23 2gwh h PHE 262 Ca -0.47 -0.07 -0.69 0.00 3.53 0.00 0.00 57.97 60.27 2gwh h PHE 262 Cb 1.22 -0.16 -0.15 0.00 2.79 0.00 0.00 35.95 39.65 2gwh h PHE 262 CO 0.59 0.60 1.36 -1.64 -2.23 0.00 0.00 178.31 176.98 2gwh s MET 263 N -5.25 3.83 -0.00 1.11 -1.94 -1.26 -4.85 119.30 110.93 2gwh s MET 263 Ca -0.13 -1.98 -0.00 0.00 -1.71 0.00 0.00 55.69 51.87 2gwh s MET 263 Cb 0.09 -5.15 -0.00 0.00 2.01 0.00 0.00 34.83 31.78 2gwh s MET 263 CO 0.76 -1.93 0.05 -0.09 -0.01 0.00 0.00 175.02 173.80 2gwh h ARG 264 N 8.20 -0.00 0.00 2.03 2.43 -1.96 -3.47 114.38 121.61 2gwh h ARG 264 Ca 0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 2gwh h ARG 264 Cb 0.94 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 2gwh h ARG 264 CO 1.27 -0.00 -0.51 1.63 -1.51 0.00 0.00 179.97 180.84 2gwh n LYS 265 N -2.14 0.00 -2.79 0.20 4.01 -1.26 -4.98 118.16 111.20 2gwh n LYS 265 Ca -0.00 0.00 -0.18 0.00 -0.51 0.00 0.00 58.31 57.62 2gwh n LYS 265 Cb 0.00 -0.72 0.02 0.00 -0.51 0.00 0.00 35.03 33.82 2gwh n LYS 265 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2gwh n GLY 266 N 2.51 -0.30 3.22 0.72 0.00 -1.26 -5.00 105.19 105.08 2gwh n GLY 266 Ca 0.00 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 2gwh n GLY 266 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gwh s ALA 267 N -3.03 1.69 0.08 4.61 0.00 -1.26 -4.97 121.76 118.89 2gwh s ALA 267 Ca 0.21 -0.92 -0.27 0.00 0.00 0.00 0.00 51.96 50.99 2gwh s ALA 267 Cb -0.09 -0.40 -0.06 0.00 0.00 0.00 0.00 23.12 22.57 2gwh s ALA 267 CO 0.26 0.40 0.84 0.08 0.00 0.00 0.00 175.76 177.34 2gwh s VAL 268 N -0.56 4.60 0.00 0.00 1.01 -1.26 -3.84 120.40 120.36 2gwh s VAL 268 Ca 0.08 1.80 0.00 0.00 0.00 0.00 0.00 61.98 63.86 2gwh s VAL 268 Cb -0.08 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.11 2gwh s VAL 268 CO -0.00 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.08 2gwh n GLY 269 N 2.24 0.71 0.25 4.51 0.00 -1.25 -4.94 105.19 106.71 2gwh n GLY 269 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.10 2gwh n GLY 269 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2gwh h ASP 270 N 0.00 0.00 -0.78 1.61 3.58 -1.90 -1.71 116.42 117.23 2gwh h ASP 270 Ca 0.00 0.00 0.23 0.00 0.42 0.00 0.00 57.03 57.68 2gwh h ASP 270 Cb 0.00 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 2gwh h ASP 270 CO 0.00 0.10 0.59 4.11 -2.88 0.00 0.00 179.24 181.16 2gwh h TRP 271 N 0.00 0.00 0.00 0.28 5.08 -1.89 -2.32 115.95 117.10 2gwh h TRP 271 Ca -0.00 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.94 2gwh h TRP 271 Cb 0.21 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.37 2gwh h TRP 271 CO 0.00 0.00 -0.14 0.87 -1.28 0.00 0.00 178.44 177.89 2gwh h LYS 272 N 0.00 0.00 0.00 0.12 1.57 -1.65 -0.46 116.57 116.15 2gwh h LYS 272 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 2gwh h LYS 272 Cb 1.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.85 2gwh h LYS 272 CO -0.00 0.14 0.00 1.63 -0.57 0.00 0.00 179.45 180.64 2gwh n LYS 273 N -4.20 0.02 -0.07 3.15 5.02 -0.87 -4.14 118.16 117.07 2gwh n LYS 273 Ca -0.02 0.06 -0.10 0.00 -2.02 0.00 0.00 58.31 56.22 2gwh n LYS 273 Cb 0.21 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.66 2gwh n LYS 273 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2gwh n HIS 274 N -1.49 0.00 -2.78 2.13 8.25 -0.28 -4.98 115.22 116.07 2gwh n HIS 274 Ca 0.07 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.11 2gwh n HIS 274 Cb 0.30 -0.55 -0.03 0.00 1.12 0.00 0.00 29.99 30.82 2gwh n HIS 274 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2gwh s PHE 275 N -2.29 3.57 0.79 4.41 0.40 -0.61 -5.06 117.98 119.20 2gwh s PHE 275 Ca -0.19 1.54 -0.11 0.00 -0.60 0.00 0.00 56.93 57.57 2gwh s PHE 275 Cb 0.05 -3.07 0.06 0.00 0.51 0.00 0.00 43.02 40.57 2gwh s PHE 275 CO 0.33 -0.09 1.09 0.95 0.70 0.00 0.00 175.22 178.20 2gwh s THR 276 N 1.41 3.30 0.33 0.64 -4.23 -1.26 -4.88 115.64 110.96 2gwh s THR 276 Ca 0.47 0.42 0.02 0.00 -1.18 0.00 0.00 61.69 61.42 2gwh s THR 276 Cb -0.19 -2.99 0.23 0.00 1.34 0.00 0.00 72.50 70.89 2gwh s THR 276 CO 0.21 -0.55 1.96 0.58 -0.54 0.00 0.00 174.62 176.28 2gwh h VAL 277 N -1.13 1.18 -0.43 2.29 2.07 -1.97 0.28 116.25 118.54 2gwh h VAL 277 Ca -0.45 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 2gwh h VAL 277 Cb 1.24 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 2gwh h VAL 277 CO 0.54 0.20 0.18 0.00 0.02 0.00 0.00 177.57 178.51 2gwh h ALA 278 N 1.54 0.56 -0.74 1.67 0.00 -2.00 -0.07 119.26 120.23 2gwh h ALA 278 Ca 0.21 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2gwh h ALA 278 Cb 0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2gwh h ALA 278 CO -0.04 0.16 0.40 1.96 0.00 0.00 0.00 179.25 181.73 2gwh h GLN 279 N 0.55 1.03 -0.11 0.00 4.20 -1.80 -1.61 115.11 117.38 2gwh h GLN 279 Ca 0.14 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2gwh h GLN 279 Cb 0.18 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 2gwh h GLN 279 CO -0.01 0.77 0.07 -0.97 -0.67 0.00 0.00 178.83 178.02 2gwh h ASN 280 N 1.02 0.13 -0.53 1.46 -1.24 -0.48 0.48 115.58 116.41 2gwh h ASN 280 Ca 0.26 -0.03 -0.01 0.00 0.71 0.00 0.00 56.30 57.23 2gwh h ASN 280 Cb 0.04 -0.03 -0.02 0.00 0.73 0.00 0.00 38.32 39.04 2gwh h ASN 280 CO -0.04 0.11 0.28 -0.33 -1.29 0.00 0.00 177.43 176.16 2gwh h GLU 281 N 0.13 0.75 -0.58 6.67 5.08 -0.87 0.01 114.58 125.77 2gwh h GLU 281 Ca 0.04 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2gwh h GLU 281 Cb 0.01 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 2gwh h GLU 281 CO -0.01 0.60 0.38 -0.09 -1.00 0.00 0.00 179.01 178.89 2gwh h ARG 282 N 0.71 0.77 -0.41 2.33 2.43 -1.04 -2.14 114.38 117.03 2gwh h ARG 282 Ca 0.19 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.33 2gwh h ARG 282 Cb 0.07 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 2gwh h ARG 282 CO -0.03 0.52 0.22 0.35 -1.51 0.00 0.00 179.97 179.53 2gwh h PHE 283 N 0.79 0.42 -0.41 2.20 3.57 0.46 -2.25 116.94 121.72 2gwh h PHE 283 Ca 0.21 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.63 2gwh h PHE 283 Cb -0.08 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 2gwh h PHE 283 CO -0.03 0.23 -0.16 -0.44 -2.23 0.00 0.00 178.31 175.68 2gwh h ASP 284 N 0.45 0.77 -0.26 0.41 3.32 -0.71 0.13 116.42 120.53 2gwh h ASP 284 Ca 0.17 -0.25 -0.05 0.00 0.02 0.00 0.00 57.03 56.92 2gwh h ASP 284 Cb 0.05 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 2gwh h ASP 284 CO -0.10 0.93 -0.04 -0.08 -1.72 0.00 0.00 179.24 178.23 2gwh h GLU 285 N 0.69 0.49 -0.47 3.56 4.81 -1.36 -1.96 114.58 120.33 2gwh h GLU 285 Ca 0.11 -0.18 0.05 0.00 -0.13 0.00 0.00 59.36 59.21 2gwh h GLU 285 Cb 0.65 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.95 2gwh h GLU 285 CO 0.05 0.69 0.22 0.22 -0.73 0.00 0.00 179.01 179.45 2gwh h ASP 286 N 0.24 0.29 0.05 1.04 3.58 -0.91 -2.49 116.42 118.23 2gwh h ASP 286 Ca 0.07 0.03 0.01 0.00 0.42 0.00 0.00 57.03 57.56 2gwh h ASP 286 Cb 0.50 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.52 2gwh h ASP 286 CO 0.02 0.21 -0.11 0.22 -2.88 0.00 0.00 179.24 176.70 2gwh h TYR 287 N 0.43 -0.28 -0.75 0.28 3.20 -0.70 -2.32 116.97 116.84 2gwh h TYR 287 Ca 0.21 0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.23 2gwh h TYR 287 Cb 0.15 0.12 -0.10 0.00 1.54 0.00 0.00 36.73 38.44 2gwh h TYR 287 CO -0.12 -0.17 0.28 0.87 -1.64 0.00 0.00 178.16 177.39 2gwh h LYS 288 N -0.21 0.40 0.00 1.82 1.57 -1.17 -1.11 116.57 117.87 2gwh h LYS 288 Ca 0.02 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2gwh h LYS 288 Cb 0.23 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2gwh h LYS 288 CO -0.07 0.26 -0.22 0.87 -0.57 0.00 0.00 179.45 179.73 2gwh h LYS 289 N 0.41 0.00 0.00 3.15 1.57 -0.98 -2.95 116.57 117.78 2gwh h LYS 289 Ca 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 2gwh h LYS 289 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 2gwh h LYS 289 CO -0.42 0.22 -0.72 1.63 -0.57 0.00 0.00 179.45 179.59 2gwh n LYS 290 N -3.98 0.03 -0.17 3.15 5.02 -0.75 -4.50 118.16 116.96 2gwh n LYS 290 Ca -0.02 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.35 2gwh n LYS 290 Cb 0.30 -1.51 0.11 0.00 -0.02 0.00 0.00 35.03 33.90 2gwh n LYS 290 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2gwh n MET 291 N -1.55 0.97 0.28 1.97 2.81 -0.49 -4.77 117.12 116.34 2gwh n MET 291 Ca 0.05 -2.19 0.17 0.00 -1.81 0.00 0.00 57.70 53.91 2gwh n MET 291 Cb 0.34 -1.25 0.81 0.00 -0.71 0.00 0.00 33.22 32.41 2gwh n MET 291 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 2gwh h THR 292 N 1.71 0.18 -0.38 2.03 1.35 -1.78 -3.20 112.91 112.82 2gwh h THR 292 Ca 0.00 -0.45 -0.14 0.00 -0.55 0.00 0.00 66.41 65.27 2gwh h THR 292 Cb 1.10 1.37 -0.08 0.00 -1.73 0.00 0.00 68.15 68.81 2gwh h THR 292 CO 0.00 0.05 0.03 -0.90 -0.25 0.00 0.00 175.52 174.44 2gwh n ASP 293 N -3.24 3.24 -3.88 5.36 5.75 -1.26 -4.95 116.55 117.56 2gwh n ASP 293 Ca -0.01 -3.44 -0.11 0.00 -0.01 0.00 0.00 54.79 51.22 2gwh n ASP 293 Cb 0.24 -0.62 -0.13 0.00 -1.03 0.00 0.00 41.12 39.58 2gwh n ASP 293 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2gwh s THR 294 N -3.08 0.02 -1.81 2.12 -1.32 -1.21 -5.00 115.64 105.36 2gwh s THR 294 Ca 0.45 -0.21 0.29 0.00 -1.21 0.00 0.00 61.69 61.02 2gwh s THR 294 Cb 0.39 -0.10 0.52 0.00 -1.51 0.00 0.00 72.50 71.80 2gwh s THR 294 CO 0.05 -0.11 1.89 0.54 -2.21 0.00 0.00 174.62 174.77 2gwh n ARG 295 N 2.71 0.86 -0.35 7.08 1.74 -1.26 -4.12 116.66 123.33 2gwh n ARG 295 Ca -0.15 -0.30 0.25 0.00 -0.77 0.00 0.00 57.85 56.88 2gwh n ARG 295 Cb 0.59 -1.49 0.53 0.00 -1.02 0.00 0.00 32.46 31.06 2gwh n ARG 295 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2gwh h LEU 296 N 0.74 0.42 -1.77 0.55 5.85 -1.94 -2.38 115.31 116.78 2gwh h LEU 296 Ca 0.00 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 2gwh h LEU 296 Cb 0.33 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 2gwh h LEU 296 CO 0.00 0.03 0.08 0.71 -0.34 0.00 0.00 178.44 178.91 2gwh h THR 297 N 0.34 1.06 0.00 1.05 1.35 -1.91 0.19 112.91 114.99 2gwh h THR 297 Ca 0.64 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 66.32 2gwh h THR 297 Cb 1.70 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 2gwh h THR 297 CO -0.34 0.07 0.00 0.49 -0.25 0.00 0.00 175.52 175.49 2gwh n PHE 298 N -4.48 0.00 -0.10 4.73 3.01 -0.90 -3.17 117.46 116.56 2gwh n PHE 298 Ca -0.00 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.32 2gwh n PHE 298 Cb 0.11 -0.12 -0.09 0.00 -0.01 0.00 0.00 39.48 39.36 2gwh n PHE 298 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 2gwh n HIS 299 N -1.12 0.00 -1.92 1.38 -0.00 0.64 -5.00 115.22 109.20 2gwh n HIS 299 Ca 0.08 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.38 2gwh n HIS 299 Cb 0.07 -0.75 -0.03 0.00 -0.00 0.00 0.00 29.99 29.27 2gwh n HIS 299 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 2gwh s PHE 300 N -2.39 2.83 0.02 4.41 0.40 -1.17 -5.02 117.98 117.05 2gwh s PHE 300 Ca -0.26 0.50 0.01 0.00 -0.60 0.00 0.00 56.93 56.58 2gwh s PHE 300 Cb 0.07 -3.95 -0.04 0.00 0.51 0.00 0.00 43.02 39.61 2gwh s PHE 300 CO 0.45 -3.63 0.05 -0.65 0.70 0.00 0.00 175.22 172.14 2gwh s GLN 301 N 1.67 2.90 0.00 0.44 -0.21 -1.26 -5.06 119.66 118.13 2gwh s GLN 301 Ca 0.72 -0.59 0.00 0.00 0.02 0.00 0.00 55.36 55.50 2gwh s GLN 301 Cb -0.43 -2.75 0.00 0.00 1.00 0.00 0.00 33.01 30.84 2gwh s GLN 301 CO 0.32 0.62 0.38 1.19 -2.12 0.00 0.00 175.29 175.67