#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gh1 s LEU 3 N 0.00 4.14 -0.18 1.04 2.96 -1.26 -4.92 118.68 120.46 3gh1 s LEU 3 Ca 0.00 0.68 -0.01 0.00 -0.22 0.00 0.00 54.13 54.57 3gh1 s LEU 3 Cb 0.00 -2.71 -0.00 0.00 0.50 0.00 0.00 46.19 43.97 3gh1 s LEU 3 CO 0.00 -0.19 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.10 3gh1 s ILE 4 N 1.67 2.91 -0.07 6.68 1.01 -1.26 0.72 121.20 132.86 3gh1 s ILE 4 Ca 0.24 -0.67 0.04 0.00 0.00 0.00 0.00 60.65 60.26 3gh1 s ILE 4 Cb -0.15 -2.27 0.00 0.00 0.01 0.00 0.00 42.46 40.04 3gh1 s ILE 4 CO 0.10 0.48 -0.19 -0.63 0.00 0.00 0.00 174.94 174.69 3gh1 s ILE 5 N 1.11 1.66 -0.05 2.92 -1.09 0.67 -4.96 121.20 121.46 3gh1 s ILE 5 Ca 0.01 -0.81 -0.19 0.00 -2.23 0.00 0.00 60.65 57.42 3gh1 s ILE 5 Cb -0.14 -1.44 -0.05 0.00 -1.58 0.00 0.00 42.46 39.25 3gh1 s ILE 5 CO -0.03 0.47 0.55 -1.10 -1.23 0.00 0.00 174.94 173.60 3gh1 s GLN 6 N 0.25 4.30 -0.22 2.79 -1.52 -1.26 0.16 119.66 124.16 3gh1 s GLN 6 Ca -0.11 0.62 -0.04 0.00 -1.95 0.00 0.00 55.36 53.88 3gh1 s GLN 6 Cb -0.15 -3.37 -0.01 0.00 -0.22 0.00 0.00 33.01 29.26 3gh1 s GLN 6 CO 0.05 0.29 -0.03 0.08 -0.25 0.00 0.00 175.29 175.44 3gh1 s VAL 7 N 0.11 3.50 0.62 1.09 1.01 0.59 -4.98 120.40 122.35 3gh1 s VAL 7 Ca 0.29 -0.45 -0.14 0.00 0.00 0.00 0.00 61.98 61.68 3gh1 s VAL 7 Cb -0.17 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 3gh1 s VAL 7 CO 0.15 0.41 1.05 -0.44 0.00 0.00 0.00 175.10 176.27 3gh1 s SER 8 N 1.50 5.70 0.66 3.32 0.01 -1.26 -1.34 113.70 122.28 3gh1 s SER 8 Ca 0.06 1.73 -0.17 0.00 1.31 0.00 0.00 55.95 58.88 3gh1 s SER 8 Cb -0.14 -2.52 -0.03 0.00 0.21 0.00 0.00 66.02 63.53 3gh1 s SER 8 CO -0.02 -1.23 0.84 -2.65 0.41 0.00 0.00 173.24 170.59 3gh1 n PRO 9 N -2.39 0.63 -2.55 12.44 -0.02 -1.25 -4.88 135.00 136.98 3gh1 n PRO 9 Ca 0.08 0.26 -0.40 0.00 -2.02 0.00 0.00 63.50 61.42 3gh1 n PRO 9 Cb 0.53 -2.07 -0.05 0.00 -0.02 0.00 0.00 33.50 31.89 3gh1 n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gh1 s ALA 10 N -1.69 3.37 0.00 3.55 0.00 -1.26 -4.99 121.76 120.74 3gh1 s ALA 10 Ca 0.73 0.81 -0.32 0.00 0.00 0.00 0.00 51.96 53.19 3gh1 s ALA 10 Cb -0.39 -3.29 -0.10 0.00 0.00 0.00 0.00 23.12 19.34 3gh1 s ALA 10 CO 0.50 -0.07 1.92 0.41 0.00 0.00 0.00 175.76 178.53 3gh1 n GLY 11 N 1.21 1.69 1.73 0.00 0.00 -1.26 -4.96 105.19 103.60 3gh1 n GLY 11 Ca -0.01 0.82 -0.01 0.00 0.00 0.00 0.00 46.02 46.82 3gh1 n GLY 11 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gh1 n SER 12 N 6.97 -1.90 -4.29 1.61 3.41 -1.26 -5.12 113.62 113.05 3gh1 n SER 12 Ca 0.21 0.28 -0.21 0.00 -0.26 0.00 0.00 58.87 58.88 3gh1 n SER 12 Cb 0.36 -1.87 -0.12 0.00 -0.26 0.00 0.00 64.21 62.33 3gh1 n SER 12 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3gh1 s ASP 14 N -0.17 2.42 0.40 4.04 1.01 -1.26 -5.16 116.67 117.95 3gh1 s ASP 14 Ca -0.05 -0.78 -0.26 0.00 0.71 0.00 0.00 52.55 52.17 3gh1 s ASP 14 Cb 0.00 -0.12 -0.10 0.00 1.01 0.00 0.00 42.92 43.70 3gh1 s ASP 14 CO 0.16 -0.04 1.20 0.18 0.21 0.00 0.00 175.17 176.88 3gh1 n LEU 15 N 0.64 3.51 -4.64 1.23 4.77 -1.26 -4.78 117.00 116.48 3gh1 n LEU 15 Ca -0.16 1.11 -0.25 0.00 -0.03 0.00 0.00 56.01 56.68 3gh1 n LEU 15 Cb 0.56 -1.45 -0.08 0.00 -2.33 0.00 0.00 43.42 40.12 3gh1 n LEU 15 CO 0.26 -0.87 -0.34 -0.76 -1.33 0.00 0.00 177.39 174.35 3gh1 s LEU 16 N -1.21 3.19 0.56 2.23 1.43 -1.26 -5.10 118.68 118.52 3gh1 s LEU 16 Ca 0.61 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 3gh1 s LEU 16 Cb -0.54 -1.79 0.03 0.00 0.03 0.00 0.00 46.19 43.93 3gh1 s LEU 16 CO 0.58 0.05 0.79 -0.94 0.23 0.00 0.00 176.35 177.06 3gh1 s SER 17 N -3.29 5.29 0.17 2.29 1.04 -1.26 -4.97 113.70 112.97 3gh1 s SER 17 Ca 0.29 0.06 -0.11 0.00 0.48 0.00 0.00 55.95 56.67 3gh1 s SER 17 Cb -0.08 -0.95 0.05 0.00 0.10 0.00 0.00 66.02 65.14 3gh1 s SER 17 CO 0.19 -1.14 1.64 -0.61 0.98 0.00 0.00 173.24 174.30 3gh1 h GLN 18 N 0.04 0.99 -0.97 4.02 5.75 -2.01 -1.98 115.11 120.95 3gh1 h GLN 18 Ca -0.43 -0.29 0.14 0.00 -0.15 0.00 0.00 58.65 57.93 3gh1 h GLN 18 Cb 1.29 -0.10 -0.08 0.00 1.07 0.00 0.00 27.48 29.66 3gh1 h GLN 18 CO 0.53 0.96 0.61 1.25 -2.65 0.00 0.00 178.83 179.53 3gh1 h LEU 19 N 0.88 0.81 -1.70 -2.39 5.85 -2.01 -0.08 115.31 116.67 3gh1 h LEU 19 Ca 0.17 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.90 3gh1 h LEU 19 Cb 0.48 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 3gh1 h LEU 19 CO 0.02 0.40 -0.18 -0.33 -0.34 0.00 0.00 178.44 178.00 3gh1 h GLU 20 N 0.85 0.00 0.00 1.25 5.08 -1.74 -3.30 114.58 116.72 3gh1 h GLU 20 Ca 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.86 3gh1 h GLU 20 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 3gh1 h GLU 20 CO -0.26 0.18 -0.80 0.28 -1.00 0.00 0.00 179.01 177.41 3gh1 n VAL 21 N -3.93 0.00 -0.06 3.13 0.31 -0.95 -4.59 118.33 112.23 3gh1 n VAL 21 Ca -0.02 -0.25 0.14 0.00 -0.01 0.00 0.00 64.34 64.21 3gh1 n VAL 21 Cb 0.27 0.67 0.56 0.00 -0.91 0.00 0.00 33.84 34.43 3gh1 n VAL 21 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 3gh1 h GLU 22 N 0.00 0.27 0.00 5.55 4.11 -1.10 0.09 114.58 123.50 3gh1 h GLU 22 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.41 3gh1 h GLU 22 Cb 0.21 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3gh1 h GLU 22 CO 0.00 0.18 0.00 0.54 0.07 0.00 0.00 179.01 179.80 3gh1 n ARG 23 N -4.45 0.10 -0.13 1.06 1.74 -1.26 -2.58 116.66 111.13 3gh1 n ARG 23 Ca 0.10 0.40 0.11 0.00 -0.77 0.00 0.00 57.85 57.68 3gh1 n ARG 23 Cb 0.44 -1.71 0.29 0.00 -1.02 0.00 0.00 32.46 30.47 3gh1 n ARG 23 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3gh1 n LEU 24 N -1.89 2.43 -4.79 0.55 4.77 0.02 -3.95 117.00 114.14 3gh1 n LEU 24 Ca 0.02 -1.04 -0.34 0.00 -0.03 0.00 0.00 56.01 54.62 3gh1 n LEU 24 Cb 0.16 -0.18 -0.01 0.00 -2.33 0.00 0.00 43.42 41.06 3gh1 n LEU 24 CO 0.14 0.52 0.74 -0.54 -1.33 0.00 0.00 177.39 176.92 3gh1 s LYS 25 N -1.65 3.55 -0.40 3.23 1.02 -1.06 -4.71 119.74 119.71 3gh1 s LYS 25 Ca 0.34 1.41 -0.27 0.00 0.02 0.00 0.00 55.97 57.47 3gh1 s LYS 25 Cb 0.19 -2.05 -0.04 0.00 -0.52 0.00 0.00 37.83 35.41 3gh1 s LYS 25 CO 0.28 -0.65 2.04 0.21 -0.92 0.00 0.00 175.35 176.31 3gh1 s LYS 26 N -3.42 2.86 0.00 1.68 2.20 -1.26 -4.65 119.74 117.15 3gh1 s LYS 26 Ca 0.68 1.38 0.00 0.00 -0.36 0.00 0.00 55.97 57.67 3gh1 s LYS 26 Cb -0.19 -4.36 0.00 0.00 -1.51 0.00 0.00 37.83 31.77 3gh1 s LYS 26 CO 0.26 -2.42 0.00 -2.37 -0.36 0.00 0.00 175.35 170.45 3gh1 n THR 27 N 7.58 0.00 -0.89 3.43 5.66 -1.26 -5.18 114.28 123.63 3gh1 n THR 27 Ca 0.27 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.27 3gh1 n THR 27 Cb 0.49 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.27 3gh1 n THR 27 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 3gh1 n SER 30 N 0.00 0.00 -0.44 1.09 2.88 -1.26 -5.08 113.62 110.80 3gh1 n SER 30 Ca 0.00 0.12 0.04 0.00 -1.33 0.00 0.00 58.87 57.70 3gh1 n SER 30 Cb 0.00 -1.24 0.10 0.00 -0.75 0.00 0.00 64.21 62.32 3gh1 n SER 30 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3gh1 n ASP 31 N -0.65 1.28 0.00 -3.46 8.00 -1.26 -4.46 116.55 116.01 3gh1 n ASP 31 Ca 0.00 -2.01 -0.12 0.00 0.71 0.00 0.00 54.79 53.38 3gh1 n ASP 31 Cb 0.00 -0.17 -0.06 0.00 -0.02 0.00 0.00 41.12 40.87 3gh1 n ASP 31 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3gh1 h LEU 32 N 1.36 0.09 -0.54 0.64 5.85 -1.98 -2.03 115.31 118.70 3gh1 h LEU 32 Ca 0.00 -0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.73 3gh1 h LEU 32 Cb 0.33 -0.02 -0.11 0.00 0.37 0.00 0.00 40.66 41.23 3gh1 h LEU 32 CO 0.00 0.15 -0.27 0.22 -0.34 0.00 0.00 178.44 178.21 3gh1 h TYR 33 N 0.01 -0.71 -0.87 1.25 5.03 -1.78 -0.24 116.97 119.66 3gh1 h TYR 33 Ca 0.02 0.06 0.03 0.00 2.58 0.00 0.00 58.73 61.43 3gh1 h TYR 33 Cb 0.09 0.39 -0.05 0.00 1.55 0.00 0.00 36.73 38.71 3gh1 h TYR 33 CO -0.04 -0.34 0.56 1.96 -1.32 0.00 0.00 178.16 178.98 3gh1 h GLN 34 N -0.14 1.06 -0.45 1.82 1.08 -1.81 0.22 115.11 116.89 3gh1 h GLN 34 Ca 0.24 -0.06 -0.05 0.00 -1.45 0.00 0.00 58.65 57.32 3gh1 h GLN 34 Cb 0.52 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 3gh1 h GLN 34 CO -0.62 0.70 0.08 1.25 -0.95 0.00 0.00 178.83 179.29 3gh1 h LEU 35 N 1.09 0.71 0.09 1.46 6.46 -0.83 0.14 115.31 124.43 3gh1 h LEU 35 Ca 0.35 -0.25 -0.00 0.00 -0.12 0.00 0.00 57.88 57.85 3gh1 h LEU 35 Cb 0.01 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 39.76 3gh1 h LEU 35 CO -0.12 0.78 -0.04 0.22 -0.62 0.00 0.00 178.44 178.66 3gh1 h TYR 36 N 0.61 -0.11 -0.65 1.25 3.20 -0.28 -1.16 116.97 119.84 3gh1 h TYR 36 Ca 0.14 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.13 3gh1 h TYR 36 Cb 0.37 0.04 -0.09 0.00 1.54 0.00 0.00 36.73 38.58 3gh1 h TYR 36 CO 0.03 0.13 0.17 -0.09 -1.64 0.00 0.00 178.16 176.75 3gh1 h ARG 37 N -0.34 0.29 -0.35 1.82 2.43 -0.61 -0.29 114.38 117.33 3gh1 h ARG 37 Ca -0.01 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.01 3gh1 h ARG 37 Cb 0.28 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 3gh1 h ARG 37 CO 0.02 0.19 -0.31 -0.91 -1.51 0.00 0.00 179.97 177.45 3gh1 h ASN 38 N 0.30 0.79 -0.20 -3.80 2.35 -0.74 0.12 115.58 114.39 3gh1 h ASN 38 Ca 0.34 -0.32 -0.13 0.00 -0.55 0.00 0.00 56.30 55.65 3gh1 h ASN 38 Cb 0.52 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 3gh1 h ASN 38 CO -0.42 1.04 -0.31 0.00 -1.65 0.00 0.00 177.43 176.09 3gh1 h SER 40 N 0.60 0.90 -0.39 0.00 0.02 -0.68 -2.60 113.55 111.39 3gh1 h SER 40 Ca 0.07 -0.56 0.06 0.00 -0.84 0.00 0.00 61.79 60.52 3gh1 h SER 40 Cb 0.82 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 63.05 3gh1 h SER 40 CO 0.07 1.35 0.08 0.25 -1.14 0.00 0.00 176.83 177.43 3gh1 h LEU 41 N 0.54 0.01 -1.15 5.07 5.85 -0.77 -2.60 115.31 122.27 3gh1 h LEU 41 Ca -0.03 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.78 3gh1 h LEU 41 Cb 1.32 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.39 3gh1 h LEU 41 CO 0.15 0.04 0.58 0.00 -0.34 0.00 0.00 178.44 178.87 3gh1 h ALA 42 N 1.29 1.42 -0.16 1.25 0.00 -1.16 0.78 119.26 122.68 3gh1 h ALA 42 Ca 0.19 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3gh1 h ALA 42 Cb 0.22 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3gh1 h ALA 42 CO -0.24 0.50 -0.31 0.28 0.00 0.00 0.00 179.25 179.48 3gh1 h VAL 43 N 1.13 1.27 0.00 0.00 2.07 -1.22 -2.71 116.25 116.78 3gh1 h VAL 43 Ca 0.34 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.56 3gh1 h VAL 43 Cb -0.03 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 3gh1 h VAL 43 CO -0.09 0.40 -0.26 -0.07 0.02 0.00 0.00 177.57 177.56 3gh1 h LEU 44 N 0.28 0.00 -5.33 2.57 3.38 -0.90 -3.34 115.31 111.98 3gh1 h LEU 44 Ca 0.04 -0.00 -0.75 0.00 0.09 0.00 0.00 57.88 57.26 3gh1 h LEU 44 Cb 0.69 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.14 3gh1 h LEU 44 CO 0.05 0.00 0.73 -3.20 0.09 0.00 0.00 178.44 176.11 3gh1 n ASN 45 N -2.95 6.95 -4.32 -0.43 5.15 0.16 -3.90 115.26 115.92 3gh1 n ASN 45 Ca 0.03 -3.77 -0.44 0.00 -0.60 0.00 0.00 54.58 49.80 3gh1 n ASN 45 Cb 0.53 -0.99 0.00 0.00 -0.53 0.00 0.00 39.78 38.79 3gh1 n ASN 45 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3gh1 n SER 46 N -0.37 5.29 -2.72 1.20 3.41 -1.23 -4.86 113.62 114.33 3gh1 n SER 46 Ca 0.49 -3.03 -0.05 0.00 -0.26 0.00 0.00 58.87 56.02 3gh1 n SER 46 Cb 0.30 -1.52 0.06 0.00 -0.26 0.00 0.00 64.21 62.80 3gh1 n SER 46 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3gh1 n THR 50 N 3.99 0.79 -3.63 6.66 -2.24 -1.26 -4.96 114.28 113.63 3gh1 n THR 50 Ca 0.35 -2.50 -0.08 0.00 -2.27 0.00 0.00 64.05 59.55 3gh1 n THR 50 Cb 0.41 0.96 -0.02 0.00 -2.10 0.00 0.00 70.33 69.58 3gh1 n THR 50 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3gh1 s ASP 51 N -2.77 -0.36 -0.02 3.42 -4.77 -1.26 -5.06 116.67 105.85 3gh1 s ASP 51 Ca 0.24 -0.26 0.20 0.00 -3.30 0.00 0.00 52.55 49.43 3gh1 s ASP 51 Cb 0.41 0.57 0.60 0.00 -1.09 0.00 0.00 42.92 43.41 3gh1 s ASP 51 CO -0.03 -1.00 1.50 -0.46 0.70 0.00 0.00 175.17 175.89 3gh1 n ASN 52 N -0.40 3.92 -4.18 2.11 6.94 -1.26 -4.77 115.26 117.62 3gh1 n ASN 52 Ca -0.09 -2.09 -0.35 0.00 -0.02 0.00 0.00 54.58 52.03 3gh1 n ASN 52 Cb 0.62 -0.46 -0.14 0.00 -2.36 0.00 0.00 39.78 37.44 3gh1 n ASN 52 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 3gh1 s SER 53 N -1.00 4.58 -0.28 0.53 0.15 -1.26 -4.68 113.70 111.73 3gh1 s SER 53 Ca 0.45 -1.08 -0.28 0.00 0.70 0.00 0.00 55.95 55.74 3gh1 s SER 53 Cb 0.25 -1.68 -0.04 0.00 -1.71 0.00 0.00 66.02 62.84 3gh1 s SER 53 CO 0.28 -0.19 2.08 -0.54 1.20 0.00 0.00 173.24 176.08 3gh1 s LYS 54 N 1.28 3.11 0.00 5.44 1.02 -1.26 -4.56 119.74 124.77 3gh1 s LYS 54 Ca -0.03 1.75 0.00 0.00 0.02 0.00 0.00 55.97 57.71 3gh1 s LYS 54 Cb -0.18 -4.33 0.00 0.00 -0.52 0.00 0.00 37.83 32.80 3gh1 s LYS 54 CO -0.03 -2.12 0.00 0.39 -0.92 0.00 0.00 175.35 172.67 3gh1 n GLU 55 N 8.68 0.00 0.24 1.68 1.02 -1.26 -4.76 120.64 126.25 3gh1 n GLU 55 Ca 0.28 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.54 3gh1 n GLU 55 Cb 0.46 -0.00 0.55 0.00 -0.02 0.00 0.00 31.44 32.43 3gh1 n GLU 55 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3gh1 h LEU 56 N 0.00 0.00 -2.17 -4.62 3.38 -1.98 -2.79 115.31 107.14 3gh1 h LEU 56 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gh1 h LEU 56 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3gh1 h LEU 56 CO 0.00 0.14 0.00 0.18 0.09 0.00 0.00 178.44 178.85 3gh1 n LEU 57 N -3.30 2.82 0.00 1.67 4.77 -1.26 -1.93 117.00 119.78 3gh1 n LEU 57 Ca 0.00 -1.38 0.00 0.00 -0.03 0.00 0.00 56.01 54.60 3gh1 n LEU 57 Cb 0.38 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3gh1 n LEU 57 CO 0.31 0.49 -0.10 0.47 -1.33 0.00 0.00 177.39 177.23 3gh1 n ASP 58 N 0.72 0.98 0.02 -1.43 8.00 -1.05 -4.83 116.55 118.95 3gh1 n ASP 58 Ca 0.00 -0.03 0.12 0.00 0.71 0.00 0.00 54.79 55.59 3gh1 n ASP 58 Cb 0.42 0.25 0.26 0.00 -0.02 0.00 0.00 41.12 42.04 3gh1 n ASP 58 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3gh1 n LYS 59 N -0.35 0.10 -1.72 -1.24 4.81 -0.81 -3.98 118.16 114.97 3gh1 n LYS 59 Ca 0.00 0.03 0.01 0.00 -0.87 0.00 0.00 58.31 57.48 3gh1 n LYS 59 Cb 0.00 -1.56 0.06 0.00 0.02 0.00 0.00 35.03 33.54 3gh1 n LYS 59 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3gh1 n TYR 60 N -1.71 0.52 -0.34 5.64 4.01 -1.14 -4.89 117.16 119.25 3gh1 n TYR 60 Ca 0.05 -1.20 0.15 0.00 -0.16 0.00 0.00 57.90 56.75 3gh1 n TYR 60 Cb 0.37 -0.20 0.37 0.00 -0.31 0.00 0.00 39.34 39.57 3gh1 n TYR 60 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3gh1 h LYS 61 N 1.49 0.64 0.00 -0.72 1.63 -1.86 -1.12 116.57 116.63 3gh1 h LYS 61 Ca -0.13 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.64 3gh1 h LYS 61 Cb 1.57 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 33.06 3gh1 h LYS 61 CO 0.15 0.43 0.00 0.27 -3.45 0.00 0.00 179.45 176.85 3gh1 n ASN 62 N -4.76 0.00 -4.75 4.20 6.94 -1.26 -4.86 115.26 110.78 3gh1 n ASN 62 Ca 0.24 -0.32 -0.42 0.00 -0.02 0.00 0.00 54.58 54.07 3gh1 n ASN 62 Cb 0.65 -0.22 -0.01 0.00 -2.36 0.00 0.00 39.78 37.84 3gh1 n ASN 62 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 3gh1 n PHE 63 N -1.22 2.86 -3.94 -2.53 7.35 -0.43 -4.58 117.46 114.97 3gh1 n PHE 63 Ca 0.16 0.32 -0.09 0.00 -0.76 0.00 0.00 57.45 57.08 3gh1 n PHE 63 Cb 0.20 -2.57 -0.04 0.00 0.35 0.00 0.00 39.48 37.42 3gh1 n PHE 63 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 3gh1 s ASP 64 N 0.31 -0.15 -0.06 -2.13 1.01 -1.04 -5.00 116.67 109.61 3gh1 s ASP 64 Ca 0.61 -0.80 -0.06 0.00 0.71 0.00 0.00 52.55 53.01 3gh1 s ASP 64 Cb -0.50 0.61 0.02 0.00 1.01 0.00 0.00 42.92 44.06 3gh1 s ASP 64 CO 0.53 -1.17 0.16 -0.51 0.21 0.00 0.00 175.17 174.39 3gh1 s ILE 65 N -3.98 -0.00 -0.03 0.77 2.07 -1.26 -0.29 121.20 118.47 3gh1 s ILE 65 Ca 0.18 0.01 0.04 0.00 -1.41 0.00 0.00 60.65 59.48 3gh1 s ILE 65 Cb -0.02 -0.24 -0.00 0.00 0.13 0.00 0.00 42.46 42.33 3gh1 s ILE 65 CO 0.07 0.01 -0.16 -0.89 -1.91 0.00 0.00 174.94 172.06 3gh1 s THR 66 N 0.17 1.30 0.55 4.00 2.01 -0.05 -4.89 115.64 118.73 3gh1 s THR 66 Ca -0.01 -0.66 0.08 0.00 0.31 0.00 0.00 61.69 61.42 3gh1 s THR 66 Cb -0.02 -1.12 0.08 0.00 0.01 0.00 0.00 72.50 71.46 3gh1 s THR 66 CO -0.00 0.38 0.71 0.52 -0.69 0.00 0.00 174.62 175.53 3gh1 n VAL 67 N 3.06 0.00 -3.75 3.82 0.31 -1.26 -0.97 118.33 119.54 3gh1 n VAL 67 Ca -0.17 -1.88 -0.20 0.00 -0.01 0.00 0.00 64.34 62.08 3gh1 n VAL 67 Cb 0.53 -0.46 -0.17 0.00 -0.91 0.00 0.00 33.84 32.83 3gh1 n VAL 67 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3gh1 s ARG 69 N -4.45 0.15 0.03 5.55 0.52 -1.26 -5.02 118.95 114.47 3gh1 s ARG 69 Ca 0.54 0.24 0.01 0.00 -0.52 0.00 0.00 55.73 56.00 3gh1 s ARG 69 Cb -0.04 -0.58 -0.00 0.00 0.52 0.00 0.00 34.95 34.84 3gh1 s ARG 69 CO 0.34 -0.27 0.02 0.54 0.02 0.00 0.00 175.30 175.95 3gh1 n ARG 70 N 4.94 0.34 -0.30 3.54 5.12 -0.60 -4.99 116.66 124.71 3gh1 n ARG 70 Ca -0.11 -0.30 -0.05 0.00 -1.93 0.00 0.00 57.85 55.47 3gh1 n ARG 70 Cb 0.50 0.21 0.07 0.00 -1.16 0.00 0.00 32.46 32.08 3gh1 n ARG 70 CO 0.00 0.00 0.00 1.05 -1.93 0.00 0.00 177.63 176.75 3gh1 h GLU 71 N 0.00 1.14 -0.75 5.56 9.09 -2.05 -1.47 114.58 126.10 3gh1 h GLU 71 Ca -0.02 -0.14 -0.27 0.00 0.05 0.00 0.00 59.36 58.98 3gh1 h GLU 71 Cb 0.11 -0.22 -0.16 0.00 -1.65 0.00 0.00 28.75 26.83 3gh1 h GLU 71 CO 0.04 0.85 0.32 0.54 0.05 0.00 0.00 179.01 180.80 3gh1 n ARG 72 N -4.39 3.31 0.00 1.06 1.74 -1.26 -5.06 116.66 112.05 3gh1 n ARG 72 Ca 0.08 -3.08 0.00 0.00 -0.77 0.00 0.00 57.85 54.08 3gh1 n ARG 72 Cb 0.11 -2.18 0.00 0.00 -1.02 0.00 0.00 32.46 29.37 3gh1 n ARG 72 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gh1 n GLY 73 N -0.42 -0.43 3.73 -0.13 0.00 -0.55 -4.90 105.19 102.48 3gh1 n GLY 73 Ca 0.44 -1.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.10 3gh1 n GLY 73 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gh1 s ILE 74 N 0.00 4.32 0.10 -0.61 -1.09 -1.26 -1.56 121.20 121.09 3gh1 s ILE 74 Ca 0.00 1.86 0.07 0.00 -2.23 0.00 0.00 60.65 60.35 3gh1 s ILE 74 Cb 0.00 -4.19 -0.04 0.00 -1.58 0.00 0.00 42.46 36.65 3gh1 s ILE 74 CO 0.00 0.25 -0.09 -0.54 -1.23 0.00 0.00 174.94 173.33 3gh1 s LYS 75 N 0.20 2.18 -0.00 2.79 1.02 -1.26 -3.78 119.74 120.88 3gh1 s LYS 75 Ca 0.50 -0.99 0.07 0.00 0.02 0.00 0.00 55.97 55.57 3gh1 s LYS 75 Cb -0.25 -2.33 -0.02 0.00 -0.52 0.00 0.00 37.83 34.70 3gh1 s LYS 75 CO 0.31 0.52 -0.23 -0.51 -0.92 0.00 0.00 175.35 174.51 3gh1 s LEU 76 N -2.16 2.26 -0.15 3.17 1.43 -0.45 -4.57 118.68 118.22 3gh1 s LEU 76 Ca 0.21 -0.44 -0.01 0.00 -1.03 0.00 0.00 54.13 52.86 3gh1 s LEU 76 Cb -0.11 -1.39 -0.02 0.00 0.03 0.00 0.00 46.19 44.71 3gh1 s LEU 76 CO 0.14 0.30 -0.10 -0.70 0.23 0.00 0.00 176.35 176.21 3gh1 s GLU 77 N -0.87 3.43 -0.17 1.70 2.12 -0.14 -0.30 118.70 124.47 3gh1 s GLU 77 Ca 0.11 -0.65 -0.05 0.00 0.36 0.00 0.00 54.97 54.74 3gh1 s GLU 77 Cb -0.10 -2.73 -0.03 0.00 0.26 0.00 0.00 34.13 31.53 3gh1 s GLU 77 CO 0.01 0.16 -0.00 -0.51 -0.54 0.00 0.00 175.26 174.38 3gh1 s LEU 78 N 0.50 3.40 -0.23 2.70 1.43 0.12 -0.87 118.68 125.74 3gh1 s LEU 78 Ca -0.07 -0.08 -0.10 0.00 -1.03 0.00 0.00 54.13 52.84 3gh1 s LEU 78 Cb -0.15 -1.84 -0.05 0.00 0.03 0.00 0.00 46.19 44.18 3gh1 s LEU 78 CO 0.04 0.15 0.15 0.00 0.23 0.00 0.00 176.35 176.93 3gh1 s ALA 79 N 0.47 3.62 -1.23 4.21 0.00 0.60 -0.24 121.76 129.19 3gh1 s ALA 79 Ca -0.01 -0.86 -0.15 0.00 0.00 0.00 0.00 51.96 50.93 3gh1 s ALA 79 Cb -0.14 -2.30 -0.00 0.00 0.00 0.00 0.00 23.12 20.68 3gh1 s ALA 79 CO 0.02 -0.14 0.66 0.09 0.00 0.00 0.00 175.76 176.40 3gh1 n ASN 80 N 4.17 -3.56 -4.78 0.00 3.02 0.22 -2.50 115.26 111.83 3gh1 n ASN 80 Ca -0.15 -1.04 -0.35 0.00 -0.03 0.00 0.00 54.58 53.01 3gh1 n ASN 80 Cb 0.52 -3.12 -0.02 0.00 -0.61 0.00 0.00 39.78 36.55 3gh1 n ASN 80 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3gh1 s PRO 81 N -6.30 3.64 0.05 3.52 0.04 -1.26 -4.22 135.00 130.47 3gh1 s PRO 81 Ca 0.32 1.54 -0.38 0.00 0.04 0.00 0.00 61.00 62.53 3gh1 s PRO 81 Cb -0.12 -2.15 -0.18 0.00 0.04 0.00 0.00 34.50 32.09 3gh1 s PRO 81 CO 0.88 -0.59 1.18 -2.30 0.04 0.00 0.00 177.00 176.20 3gh1 n PRO 82 N -0.94 0.58 0.14 0.56 -0.02 -1.26 -4.87 135.00 129.18 3gh1 n PRO 82 Ca 0.10 0.21 0.12 0.00 -2.02 0.00 0.00 63.50 61.91 3gh1 n PRO 82 Cb 0.51 -1.76 0.51 0.00 -0.02 0.00 0.00 33.50 32.74 3gh1 n PRO 82 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3gh1 h GLU 83 N 3.65 0.00 0.00 -0.52 -0.00 -1.93 -2.88 114.58 112.91 3gh1 h GLU 83 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.88 3gh1 h GLU 83 Cb 1.38 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.13 3gh1 h GLU 83 CO 0.71 0.00 0.00 -2.39 -0.00 0.00 0.00 179.01 177.33 3gh1 n HIS 84 N -2.31 0.00 1.57 2.06 1.44 -1.26 -2.36 115.22 114.36 3gh1 n HIS 84 Ca 0.02 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.85 3gh1 n HIS 84 Cb 0.23 -0.48 0.73 0.00 0.12 0.00 0.00 29.99 30.60 3gh1 n HIS 84 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3gh1 n ALA 85 N -1.48 2.43 -2.60 1.59 0.00 -1.09 -4.86 120.51 114.51 3gh1 n ALA 85 Ca 0.05 -0.15 -0.33 0.00 0.00 0.00 0.00 53.44 53.01 3gh1 n ALA 85 Cb 0.24 -1.40 -0.11 0.00 0.00 0.00 0.00 19.45 18.18 3gh1 n ALA 85 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3gh1 s PHE 86 N -2.00 2.91 -0.19 0.00 0.08 -0.99 -1.79 117.98 116.00 3gh1 s PHE 86 Ca 0.37 -0.02 0.01 0.00 0.12 0.00 0.00 56.93 57.41 3gh1 s PHE 86 Cb 0.17 -1.64 0.04 0.00 -0.57 0.00 0.00 43.02 41.02 3gh1 s PHE 86 CO 0.29 0.37 -0.13 0.08 -0.10 0.00 0.00 175.22 175.73 3gh1 s VAL 87 N -0.95 1.73 -1.31 -0.44 1.01 -0.33 -4.82 120.40 115.29 3gh1 s VAL 87 Ca 0.16 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 61.13 3gh1 s VAL 87 Cb -0.11 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.55 3gh1 s VAL 87 CO 0.06 0.27 0.91 0.47 0.00 0.00 0.00 175.10 176.80 3gh1 n ASP 88 N 4.67 -2.74 0.00 3.32 9.92 -1.26 -1.68 116.55 128.78 3gh1 n ASP 88 Ca -0.16 -0.71 0.00 0.00 -0.53 0.00 0.00 54.79 53.39 3gh1 n ASP 88 Cb 0.47 -4.52 0.00 0.00 -0.64 0.00 0.00 41.12 36.43 3gh1 n ASP 88 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3gh1 n GLY 89 N -1.51 0.88 3.18 0.44 0.00 -1.26 -5.01 105.19 101.90 3gh1 n GLY 89 Ca -0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 3gh1 n GLY 89 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gh1 s GLN 90 N -0.12 1.50 0.12 1.61 -1.52 -0.68 -5.06 119.66 115.50 3gh1 s GLN 90 Ca 0.00 -0.66 -0.31 0.00 -1.95 0.00 0.00 55.36 52.44 3gh1 s GLN 90 Cb 0.00 -1.44 -0.08 0.00 -0.22 0.00 0.00 33.01 31.26 3gh1 s GLN 90 CO 0.00 0.39 1.47 0.42 -0.25 0.00 0.00 175.29 177.32 3gh1 s ILE 91 N -0.42 3.11 0.10 1.08 1.01 -1.26 -1.19 121.20 123.62 3gh1 s ILE 91 Ca 0.07 0.76 -0.36 0.00 0.00 0.00 0.00 60.65 61.12 3gh1 s ILE 91 Cb -0.07 -3.49 -0.17 0.00 0.01 0.00 0.00 42.46 38.75 3gh1 s ILE 91 CO -0.01 0.05 1.33 -0.38 0.00 0.00 0.00 174.94 175.93 3gh1 n ILE 92 N 4.08 0.10 -0.25 2.92 5.41 -0.74 -4.78 119.36 126.11 3gh1 n ILE 92 Ca 0.13 -0.03 -0.04 0.00 1.00 0.00 0.00 62.75 63.81 3gh1 n ILE 92 Cb 0.41 -0.85 0.07 0.00 -0.71 0.00 0.00 39.64 38.56 3gh1 n ILE 92 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 3gh1 h LYS 93 N 4.47 0.86 -0.41 0.38 1.57 -1.92 0.22 116.57 121.73 3gh1 h LYS 93 Ca -0.47 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 58.31 3gh1 h LYS 93 Cb 1.33 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.43 3gh1 h LYS 93 CO 0.77 0.57 0.28 0.78 -0.57 0.00 0.00 179.45 181.28 3gh1 h GLY 94 N 0.88 0.40 1.29 3.86 0.00 -1.89 -0.32 103.07 107.29 3gh1 h GLY 94 Ca 0.27 -0.13 -0.17 0.00 0.00 0.00 0.00 47.33 47.29 3gh1 h GLY 94 CO -0.08 0.10 -0.53 -2.22 0.00 0.00 0.00 176.54 173.81 3gh1 h ILE 95 N 0.33 1.29 -0.55 2.60 2.04 -1.28 -1.34 117.51 120.61 3gh1 h ILE 95 Ca 0.18 -1.73 0.09 0.00 1.00 0.00 0.00 64.86 64.40 3gh1 h ILE 95 Cb 0.29 1.66 -0.07 0.00 -0.74 0.00 0.00 36.82 37.95 3gh1 h ILE 95 CO -0.04 0.56 0.13 1.56 0.00 0.00 0.00 178.15 180.36 3gh1 h GLN 96 N 0.58 0.27 -0.52 2.37 4.20 -0.71 -1.05 115.11 120.24 3gh1 h GLN 96 Ca 0.02 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 3gh1 h GLN 96 Cb 1.11 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.81 3gh1 h GLN 96 CO 0.11 0.18 0.04 0.93 -0.67 0.00 0.00 178.83 179.42 3gh1 h GLU 97 N 0.28 0.88 -0.72 1.46 5.08 -0.78 -2.61 114.58 118.17 3gh1 h GLU 97 Ca 0.28 -0.26 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 3gh1 h GLU 97 Cb 0.38 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 3gh1 h GLU 97 CO -0.34 0.89 0.48 0.45 -1.00 0.00 0.00 179.01 179.48 3gh1 h HIS 98 N 0.76 0.80 -0.57 4.33 3.86 -0.57 -0.81 115.15 122.96 3gh1 h HIS 98 Ca 0.15 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 3gh1 h HIS 98 Cb 0.47 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.64 3gh1 h HIS 98 CO 0.03 0.45 0.36 -0.07 0.86 0.00 0.00 177.93 179.56 3gh1 h LEU 99 N 0.81 0.66 -1.08 2.43 3.38 -0.82 -1.85 115.31 118.85 3gh1 h LEU 99 Ca 0.30 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.17 3gh1 h LEU 99 Cb 0.16 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3gh1 h LEU 99 CO -0.09 0.50 -0.13 -0.26 0.09 0.00 0.00 178.44 178.55 3gh1 h PHE 100 N 0.77 0.54 -0.75 1.13 0.04 -1.36 -1.99 116.94 115.32 3gh1 h PHE 100 Ca 0.21 -0.08 -0.05 0.00 2.80 0.00 0.00 57.97 60.85 3gh1 h PHE 100 Cb -0.06 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 37.91 3gh1 h PHE 100 CO -0.03 0.62 0.29 0.77 -0.60 0.00 0.00 178.31 179.35 3gh1 h SER 101 N 0.46 1.05 0.06 2.17 0.02 -0.72 -0.54 113.55 116.04 3gh1 h SER 101 Ca 0.09 -0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 60.85 3gh1 h SER 101 Cb 0.50 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.77 3gh1 h SER 101 CO 0.03 0.94 -0.03 0.58 -1.14 0.00 0.00 176.83 177.22 3gh1 h VAL 102 N 1.09 0.97 -0.03 2.27 2.07 -1.15 -1.70 116.25 119.77 3gh1 h VAL 102 Ca 0.25 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.70 3gh1 h VAL 102 Cb 0.23 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 3gh1 h VAL 102 CO -0.02 0.02 -0.06 0.25 0.02 0.00 0.00 177.57 177.78 3gh1 h LEU 103 N -0.11 -0.19 -0.54 2.57 5.85 -1.19 -1.98 115.31 119.72 3gh1 h LEU 103 Ca -0.01 0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.84 3gh1 h LEU 103 Cb 0.09 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.13 3gh1 h LEU 103 CO 0.01 -0.09 0.11 -0.09 -0.34 0.00 0.00 178.44 178.04 3gh1 h ARG 104 N -0.10 0.24 -0.01 1.25 2.43 -0.94 -1.20 114.38 116.06 3gh1 h ARG 104 Ca 0.04 -0.01 -0.22 0.00 -0.81 0.00 0.00 59.98 58.98 3gh1 h ARG 104 Cb 0.15 -0.05 0.02 0.00 -0.42 0.00 0.00 29.97 29.66 3gh1 h ARG 104 CO -0.09 0.16 -0.84 -0.44 -1.51 0.00 0.00 179.97 177.25 3gh1 h ASP 105 N 0.25 0.75 -0.40 -3.80 3.32 -1.16 0.01 116.42 115.39 3gh1 h ASP 105 Ca 0.28 -0.74 0.05 0.00 0.02 0.00 0.00 57.03 56.64 3gh1 h ASP 105 Cb 0.39 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.66 3gh1 h ASP 105 CO -0.36 1.39 0.12 0.40 -1.72 0.00 0.00 179.24 179.07 3gh1 h ILE 106 N 0.18 0.85 -0.34 0.35 1.08 -1.31 -2.04 117.51 116.28 3gh1 h ILE 106 Ca -0.10 -0.09 -0.00 0.00 -0.39 0.00 0.00 64.86 64.27 3gh1 h ILE 106 Cb 1.51 0.56 -0.02 0.00 -3.07 0.00 0.00 36.82 35.81 3gh1 h ILE 106 CO 0.17 0.05 0.21 0.58 -0.69 0.00 0.00 178.15 178.46 3gh1 h VAL 107 N 0.27 1.11 -0.25 1.67 2.07 -1.11 -2.14 116.25 117.87 3gh1 h VAL 107 Ca 0.19 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 3gh1 h VAL 107 Cb 0.19 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 3gh1 h VAL 107 CO -0.21 0.11 0.14 0.22 0.02 0.00 0.00 177.57 177.85 3gh1 h TYR 108 N 0.44 0.35 -0.11 1.57 3.20 -0.65 -3.01 116.97 118.76 3gh1 h TYR 108 Ca 0.12 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 3gh1 h TYR 108 Cb 0.00 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.16 3gh1 h TYR 108 CO -0.04 0.29 0.01 0.28 -1.64 0.00 0.00 178.16 177.06 3gh1 h VAL 109 N 0.30 1.23 0.00 1.81 2.07 -1.35 -2.36 116.25 117.94 3gh1 h VAL 109 Ca 0.09 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.88 3gh1 h VAL 109 Cb 0.06 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3gh1 h VAL 109 CO -0.01 0.21 0.00 0.59 0.02 0.00 0.00 177.57 178.37 3gh1 n ASN 110 N -4.83 0.00 0.00 0.57 3.02 -0.81 -1.54 115.26 111.67 3gh1 n ASN 110 Ca -0.06 -0.50 0.00 0.00 -0.03 0.00 0.00 54.58 53.99 3gh1 n ASN 110 Cb 0.18 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 3gh1 n ASN 110 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3gh1 n HIS 112 N 1.48 0.00 0.22 3.10 8.25 -0.89 -4.85 115.22 122.53 3gh1 n HIS 112 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.53 3gh1 n HIS 112 Cb 0.00 0.00 0.52 0.00 1.12 0.00 0.00 29.99 31.63 3gh1 n HIS 112 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3gh1 h LEU 113 N 0.00 0.00 0.11 2.41 3.38 -1.57 -3.29 115.31 116.36 3gh1 h LEU 113 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3gh1 h LEU 113 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3gh1 h LEU 113 CO 0.00 0.24 -0.05 0.00 0.09 0.00 0.00 178.44 178.72 3gh1 h ALA 114 N 1.76 -0.16 -2.33 1.53 0.00 -1.88 -3.55 119.26 114.62 3gh1 h ALA 114 Ca -0.00 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.97 3gh1 h ALA 114 Cb 0.52 0.06 -0.15 0.00 0.00 0.00 0.00 17.79 18.21 3gh1 h ALA 114 CO 0.03 -0.15 0.46 0.34 0.00 0.00 0.00 179.25 179.93 3gh1 s ASP 115 N -5.07 -0.39 0.25 0.00 -1.08 -1.24 -5.24 116.67 103.89 3gh1 s ASP 115 Ca -0.02 0.02 -0.04 0.00 -0.52 0.00 0.00 52.55 51.99 3gh1 s ASP 115 Cb 0.00 0.41 -0.03 0.00 -1.46 0.00 0.00 42.92 41.84 3gh1 s ASP 115 CO 0.07 -0.65 -0.24 0.35 0.52 0.00 0.00 175.17 175.22 3gh1 n THR 122 N -0.21 0.00 0.15 1.71 -2.24 -1.26 -4.69 114.28 107.73 3gh1 n THR 122 Ca -0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 3gh1 n THR 122 Cb 0.62 0.00 0.19 0.00 -2.10 0.00 0.00 70.33 69.04 3gh1 n THR 122 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 3gh1 h ASN 123 N -0.55 0.00 0.14 3.42 -1.24 -2.05 0.65 115.58 115.95 3gh1 h ASN 123 Ca -0.06 0.00 -0.21 0.00 0.71 0.00 0.00 56.30 56.74 3gh1 h ASN 123 Cb 0.21 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.26 3gh1 h ASN 123 CO 0.03 0.57 -0.81 0.00 -1.29 0.00 0.00 177.43 175.94 3gh1 h ALA 124 N 1.43 0.43 -0.11 1.57 0.00 -2.00 -0.96 119.26 119.62 3gh1 h ALA 124 Ca -0.01 -0.63 -0.04 0.00 0.00 0.00 0.00 54.91 54.23 3gh1 h ALA 124 Cb 1.09 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 3gh1 h ALA 124 CO 0.07 0.74 -0.08 1.15 0.00 0.00 0.00 179.25 181.14 3gh1 h THR 125 N 0.35 1.34 -0.63 0.00 2.02 -2.00 -2.69 112.91 111.30 3gh1 h THR 125 Ca -0.05 -1.18 0.11 0.00 0.77 0.00 0.00 66.41 66.06 3gh1 h THR 125 Cb 1.42 1.87 -0.08 0.00 -1.74 0.00 0.00 68.15 69.61 3gh1 h THR 125 CO 0.15 0.34 0.19 -0.74 0.37 0.00 0.00 175.52 175.83 3gh1 h HIS 126 N -0.12 0.32 -0.39 3.16 -0.00 -0.72 -0.89 115.15 116.52 3gh1 h HIS 126 Ca 0.02 0.03 -0.10 0.00 -0.00 0.00 0.00 60.37 60.33 3gh1 h HIS 126 Cb 0.57 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 27.92 3gh1 h HIS 126 CO 0.08 0.03 -0.14 0.82 -0.00 0.00 0.00 177.93 178.72 3gh1 h ILE 127 N 0.34 1.28 -0.64 6.26 2.04 -1.14 -0.32 117.51 125.34 3gh1 h ILE 127 Ca 0.33 -1.25 -0.07 0.00 1.00 0.00 0.00 64.86 64.87 3gh1 h ILE 127 Cb 0.47 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 3gh1 h ILE 127 CO -0.37 0.42 0.12 0.74 0.00 0.00 0.00 178.15 179.06 3gh1 h THR 128 N 0.59 1.25 -0.18 -0.27 2.02 -1.25 -0.92 112.91 114.16 3gh1 h THR 128 Ca 0.09 -0.97 -0.15 0.00 0.77 0.00 0.00 66.41 66.15 3gh1 h THR 128 Cb 0.68 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 3gh1 h THR 128 CO 0.05 0.37 -0.53 0.78 0.37 0.00 0.00 175.52 176.55 3gh1 h ASN 129 N 0.97 0.56 -0.31 4.18 2.35 -0.91 -0.60 115.58 121.82 3gh1 h ASN 129 Ca 0.20 -0.29 -0.02 0.00 -0.55 0.00 0.00 56.30 55.63 3gh1 h ASN 129 Cb 0.39 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 3gh1 h ASN 129 CO 0.01 0.99 0.11 0.25 -1.65 0.00 0.00 177.43 177.13 3gh1 h LEU 130 N 0.40 0.45 -0.36 1.61 5.85 -0.91 0.32 115.31 122.66 3gh1 h LEU 130 Ca 0.01 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.56 3gh1 h LEU 130 Cb 1.06 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 3gh1 h LEU 130 CO 0.10 0.52 0.20 0.58 -0.34 0.00 0.00 178.44 179.49 3gh1 h VAL 131 N 0.35 1.01 -0.13 1.05 2.07 -0.98 -0.87 116.25 118.74 3gh1 h VAL 131 Ca 0.10 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 67.51 3gh1 h VAL 131 Cb 0.23 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3gh1 h VAL 131 CO -0.00 0.07 -0.05 0.15 0.02 0.00 0.00 177.57 177.76 3gh1 h PHE 132 N 0.40 -0.11 -0.55 1.57 3.57 -0.98 -2.45 116.94 118.38 3gh1 h PHE 132 Ca 0.15 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.70 3gh1 h PHE 132 Cb 0.03 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.80 3gh1 h PHE 132 CO -0.09 -0.08 0.31 0.78 -2.23 0.00 0.00 178.31 177.00 3gh1 h GLY 133 N -0.03 0.78 0.97 2.40 0.00 0.09 0.07 103.07 107.35 3gh1 h GLY 133 Ca 0.07 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.17 3gh1 h GLY 133 CO -0.15 0.17 0.16 -2.22 0.00 0.00 0.00 176.54 174.50 3gh1 h ILE 134 N 0.61 1.10 -0.20 2.60 2.04 -1.11 0.13 117.51 122.68 3gh1 h ILE 134 Ca 0.23 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 3gh1 h ILE 134 Cb 0.08 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 3gh1 h ILE 134 CO -0.13 0.10 0.03 -0.07 0.00 0.00 0.00 178.15 178.08 3gh1 h LEU 135 N 0.33 0.32 -0.51 1.44 3.38 -1.23 -0.32 115.31 118.73 3gh1 h LEU 135 Ca 0.10 -0.26 0.05 0.00 0.09 0.00 0.00 57.88 57.85 3gh1 h LEU 135 Cb 0.02 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 3gh1 h LEU 135 CO -0.02 0.50 0.24 -0.09 0.09 0.00 0.00 178.44 179.16 3gh1 h ARG 136 N 0.13 0.45 -0.28 1.13 2.43 -0.93 -1.14 114.38 116.17 3gh1 h ARG 136 Ca 0.06 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3gh1 h ARG 136 Cb 0.32 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3gh1 h ARG 136 CO 0.00 0.30 0.10 -0.97 -1.51 0.00 0.00 179.97 177.89 3gh1 h ASN 137 N 0.47 0.35 0.58 -3.80 -0.73 -0.40 -1.49 115.58 110.56 3gh1 h ASN 137 Ca 0.23 -0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.37 3gh1 h ASN 137 Cb 0.16 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 38.67 3gh1 h ASN 137 CO -0.18 0.33 0.00 0.00 -0.37 0.00 0.00 177.43 177.22 3gh1 n ALA 138 N -2.49 2.17 -1.00 1.57 0.00 -0.16 -4.89 120.51 115.71 3gh1 n ALA 138 Ca 0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 53.44 53.35 3gh1 n ALA 138 Cb 0.14 -1.39 -0.00 0.00 0.00 0.00 0.00 19.45 18.20 3gh1 n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gh1 n GLY 139 N 0.82 0.44 0.03 0.00 0.00 -0.56 -4.92 105.19 101.00 3gh1 n GLY 139 Ca 0.09 -0.60 0.13 0.00 0.00 0.00 0.00 46.02 45.64 3gh1 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gh1 n ALA 140 N 1.00 3.17 -3.77 4.61 0.00 -0.46 -4.60 120.51 120.45 3gh1 n ALA 140 Ca -0.00 -0.29 -0.36 0.00 0.00 0.00 0.00 53.44 52.79 3gh1 n ALA 140 Cb 0.00 -1.22 -0.11 0.00 0.00 0.00 0.00 19.45 18.13 3gh1 n ALA 140 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gh1 s LEU 141 N -2.92 5.17 -0.29 0.00 1.43 -1.25 -4.99 118.68 115.83 3gh1 s LEU 141 Ca 0.14 -2.44 -0.19 0.00 -1.03 0.00 0.00 54.13 50.61 3gh1 s LEU 141 Cb 0.18 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.57 3gh1 s LEU 141 CO 0.63 -0.45 0.59 -0.63 0.23 0.00 0.00 176.35 176.72 3gh1 s ILE 142 N 0.55 4.98 0.25 -0.59 1.01 -1.26 -4.94 121.20 121.20 3gh1 s ILE 142 Ca 0.12 0.83 -0.04 0.00 0.00 0.00 0.00 60.65 61.56 3gh1 s ILE 142 Cb -0.22 -3.95 0.17 0.00 0.01 0.00 0.00 42.46 38.48 3gh1 s ILE 142 CO -0.04 -0.08 1.82 -0.65 0.00 0.00 0.00 174.94 176.00 3gh1 h PRO 143 N 8.15 1.04 -0.11 2.79 0.11 -1.98 -2.78 132.00 139.22 3gh1 h PRO 143 Ca -0.27 -0.18 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3gh1 h PRO 143 Cb 1.12 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3gh1 h PRO 143 CO 0.77 0.85 0.00 0.41 -0.21 0.00 0.00 178.00 179.82 3gh1 n GLY 144 N -0.95 0.25 3.75 -0.55 0.00 -1.26 -4.84 105.19 101.59 3gh1 n GLY 144 Ca 0.06 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 3gh1 n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gh1 s ALA 145 N -1.88 3.43 0.32 4.61 0.00 -1.05 -5.01 121.76 122.18 3gh1 s ALA 145 Ca 0.35 0.98 -0.24 0.00 0.00 0.00 0.00 51.96 53.05 3gh1 s ALA 145 Cb 0.19 -3.38 -0.10 0.00 0.00 0.00 0.00 23.12 19.83 3gh1 s ALA 145 CO 0.30 -0.32 0.90 -0.08 0.00 0.00 0.00 175.76 176.56 3gh1 s THR 146 N -0.72 4.32 0.13 0.00 -1.32 -1.26 -4.76 115.64 112.03 3gh1 s THR 146 Ca 0.48 1.65 -0.33 0.00 -1.21 0.00 0.00 61.69 62.29 3gh1 s THR 146 Cb -0.33 -3.91 -0.12 0.00 -1.51 0.00 0.00 72.50 66.62 3gh1 s THR 146 CO 0.41 0.08 1.74 -2.65 -2.21 0.00 0.00 174.62 171.99 3gh1 n PRO 147 N 0.40 2.52 -0.09 7.08 -0.02 -1.26 -4.79 135.00 138.83 3gh1 n PRO 147 Ca 0.02 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 3gh1 n PRO 147 Cb 0.51 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 3gh1 n PRO 147 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3gh1 n ASN 148 N 4.70 0.00 -4.63 2.55 6.94 -1.26 -4.94 115.26 118.62 3gh1 n ASN 148 Ca 0.18 -1.01 -0.39 0.00 -0.02 0.00 0.00 54.58 53.33 3gh1 n ASN 148 Cb 0.33 -0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.67 3gh1 n ASN 148 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3gh1 s LEU 149 N 0.00 4.08 -0.23 -4.53 2.96 -1.26 -0.48 118.68 119.22 3gh1 s LEU 149 Ca 0.00 0.42 -0.06 0.00 -0.22 0.00 0.00 54.13 54.26 3gh1 s LEU 149 Cb 0.00 -2.51 -0.03 0.00 0.50 0.00 0.00 46.19 44.15 3gh1 s LEU 149 CO 0.00 -0.18 0.04 -0.69 -1.32 0.00 0.00 176.35 174.20 3gh1 s VAL 150 N 1.90 4.15 -0.01 1.68 1.01 0.11 -0.89 120.40 128.35 3gh1 s VAL 150 Ca 0.18 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.62 3gh1 s VAL 150 Cb -0.15 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 3gh1 s VAL 150 CO 0.09 0.38 0.99 -0.69 0.00 0.00 0.00 175.10 175.87 3gh1 s VAL 151 N 1.37 4.84 -0.15 2.92 1.01 -0.21 -0.95 120.40 129.23 3gh1 s VAL 151 Ca 0.05 2.05 -0.01 0.00 0.00 0.00 0.00 61.98 64.06 3gh1 s VAL 151 Cb -0.15 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 31.91 3gh1 s VAL 151 CO 0.02 0.14 -0.10 0.00 0.00 0.00 0.00 175.10 175.16 3gh1 s TRP 153 N 0.55 1.51 0.00 0.00 0.51 0.17 -4.36 118.94 117.32 3gh1 s TRP 153 Ca -0.07 -0.39 0.00 0.00 -2.12 0.00 0.00 56.10 53.52 3gh1 s TRP 153 Cb -0.15 -0.87 0.00 0.00 -0.81 0.00 0.00 33.47 31.63 3gh1 s TRP 153 CO 0.03 0.09 0.00 0.41 -0.51 0.00 0.00 176.95 176.98 3gh1 n GLY 154 N 1.60 0.28 3.79 0.98 0.00 -1.26 -0.15 105.19 110.43 3gh1 n GLY 154 Ca -0.19 -0.99 -0.36 0.00 0.00 0.00 0.00 46.02 44.49 3gh1 n GLY 154 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gh1 s GLY 155 N 0.00 2.66 0.40 -0.02 0.00 -0.43 -4.66 107.32 105.27 3gh1 s GLY 155 Ca 0.00 0.68 0.22 0.00 0.00 0.00 0.00 44.72 45.62 3gh1 s GLY 155 CO 0.00 1.07 1.65 1.12 0.00 0.00 0.00 173.10 176.95 3gh1 h HIS 156 N 2.14 0.00 -3.52 1.90 2.07 -1.89 -0.09 115.15 115.76 3gh1 h HIS 156 Ca -0.49 0.00 -0.64 0.00 -2.85 0.00 0.00 60.37 56.39 3gh1 h HIS 156 Cb 1.22 0.00 -0.40 0.00 2.57 0.00 0.00 27.41 30.80 3gh1 h HIS 156 CO 0.57 0.23 -0.70 0.45 -3.07 0.00 0.00 177.93 175.41 3gh1 s SER 157 N -6.24 4.53 0.07 3.10 0.15 -1.26 -3.48 113.70 110.57 3gh1 s SER 157 Ca 0.04 -2.34 0.03 0.00 0.70 0.00 0.00 55.95 54.38 3gh1 s SER 157 Cb 0.08 -1.52 -0.03 0.00 -1.71 0.00 0.00 66.02 62.83 3gh1 s SER 157 CO 0.67 -0.34 -0.09 0.27 1.20 0.00 0.00 173.24 174.96 3gh1 s ILE 158 N 0.66 0.73 1.04 6.45 -4.36 -1.26 -4.41 121.20 120.04 3gh1 s ILE 158 Ca 0.13 -1.45 -0.16 0.00 -0.26 0.00 0.00 60.65 58.91 3gh1 s ILE 158 Cb -0.21 -1.10 0.21 0.00 1.25 0.00 0.00 42.46 42.61 3gh1 s ILE 158 CO -0.07 -0.54 1.17 0.54 0.24 0.00 0.00 174.94 176.28 3gh1 s ASN 159 N -2.18 2.37 0.16 4.36 2.20 -1.26 -4.80 114.94 115.79 3gh1 s ASN 159 Ca -0.00 0.70 -0.10 0.00 -0.94 0.00 0.00 52.86 52.51 3gh1 s ASN 159 Cb -0.04 -1.04 0.00 0.00 -2.00 0.00 0.00 41.25 38.17 3gh1 s ASN 159 CO -0.01 -3.23 1.55 -0.33 -2.94 0.00 0.00 177.10 172.14 3gh1 h GLU 160 N -1.97 0.99 -0.43 3.55 4.39 -2.02 -0.79 114.58 118.31 3gh1 h GLU 160 Ca -0.47 -0.42 0.03 0.00 0.34 0.00 0.00 59.36 58.84 3gh1 h GLU 160 Cb 1.30 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.88 3gh1 h GLU 160 CO 0.46 1.09 0.23 0.28 -1.16 0.00 0.00 179.01 179.91 3gh1 h VAL 161 N 0.84 1.00 -0.73 3.13 2.07 -1.99 -0.78 116.25 119.79 3gh1 h VAL 161 Ca 0.11 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 3gh1 h VAL 161 Cb 0.78 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 3gh1 h VAL 161 CO 0.06 0.08 0.28 -0.33 0.02 0.00 0.00 177.57 177.69 3gh1 h GLU 162 N 0.46 1.08 -0.35 1.57 5.08 -1.87 -2.18 114.58 118.37 3gh1 h GLU 162 Ca 0.18 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 3gh1 h GLU 162 Cb 0.06 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 3gh1 h GLU 162 CO -0.11 0.88 -0.12 -0.92 -1.00 0.00 0.00 179.01 177.74 3gh1 h TYR 163 N 1.06 0.79 -0.70 4.33 3.20 -0.83 -2.03 116.97 122.79 3gh1 h TYR 163 Ca 0.24 -0.18 -0.07 0.00 3.14 0.00 0.00 58.73 61.86 3gh1 h TYR 163 Cb 0.21 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 3gh1 h TYR 163 CO 0.02 0.88 0.16 1.96 -1.64 0.00 0.00 178.16 179.53 3gh1 h GLN 164 N 0.48 1.12 -0.46 1.82 1.08 -1.03 -1.95 115.11 116.17 3gh1 h GLN 164 Ca 0.08 -0.27 0.08 0.00 -1.45 0.00 0.00 58.65 57.09 3gh1 h GLN 164 Cb 0.64 -0.15 -0.07 0.00 -0.05 0.00 0.00 27.48 27.86 3gh1 h GLN 164 CO 0.04 0.99 0.05 -0.92 -0.95 0.00 0.00 178.83 178.04 3gh1 h TYR 165 N 1.06 0.06 -0.12 2.96 3.20 -1.16 -0.79 116.97 122.18 3gh1 h TYR 165 Ca 0.22 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.05 3gh1 h TYR 165 Cb 0.38 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 3gh1 h TYR 165 CO 0.03 -0.05 -0.26 1.79 -1.64 0.00 0.00 178.16 178.03 3gh1 h THR 166 N 0.17 1.24 -0.43 1.81 1.35 -1.06 -0.68 112.91 115.29 3gh1 h THR 166 Ca 0.23 -1.10 -0.10 0.00 -0.55 0.00 0.00 66.41 64.89 3gh1 h THR 166 Cb 0.32 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 68.16 3gh1 h THR 166 CO -0.34 0.33 -0.12 -0.09 -0.25 0.00 0.00 175.52 175.05 3gh1 h ARG 167 N 0.19 0.85 -0.22 4.72 2.43 -0.79 -1.78 114.38 119.78 3gh1 h ARG 167 Ca 0.03 -0.33 -0.16 0.00 -0.81 0.00 0.00 59.98 58.71 3gh1 h ARG 167 Cb 0.56 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.06 3gh1 h ARG 167 CO 0.04 0.96 -0.54 0.93 -1.51 0.00 0.00 179.97 179.86 3gh1 h GLU 168 N 0.68 0.63 -0.73 0.20 4.39 -0.55 -1.34 114.58 117.86 3gh1 h GLU 168 Ca 0.11 -0.39 0.05 0.00 0.34 0.00 0.00 59.36 59.46 3gh1 h GLU 168 Cb 0.66 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.30 3gh1 h GLU 168 CO 0.05 1.01 0.44 0.28 -1.16 0.00 0.00 179.01 179.62 3gh1 h VAL 169 N 0.49 1.03 -0.66 3.13 2.07 -1.09 -1.89 116.25 119.32 3gh1 h VAL 169 Ca 0.01 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.21 3gh1 h VAL 169 Cb 1.09 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 3gh1 h VAL 169 CO 0.11 0.15 0.23 1.23 0.02 0.00 0.00 177.57 179.30 3gh1 h GLY 170 N 0.82 1.07 0.69 2.17 0.00 -0.87 0.19 103.07 107.15 3gh1 h GLY 170 Ca 0.31 -0.59 0.05 0.00 0.00 0.00 0.00 47.33 47.09 3gh1 h GLY 170 CO -0.15 0.56 0.20 0.84 0.00 0.00 0.00 176.54 177.98 3gh1 h HIS 171 N 0.97 0.36 -0.70 5.60 6.17 -0.94 0.14 115.15 126.75 3gh1 h HIS 171 Ca 0.22 0.02 -0.06 0.00 0.71 0.00 0.00 60.37 61.26 3gh1 h HIS 171 Cb 0.24 -0.10 -0.03 0.00 2.52 0.00 0.00 27.41 30.05 3gh1 h HIS 171 CO 0.02 0.16 0.20 0.93 0.71 0.00 0.00 177.93 179.95 3gh1 h GLU 172 N 0.40 1.10 -0.41 5.26 4.39 -0.75 -1.44 114.58 123.13 3gh1 h GLU 172 Ca 0.20 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 3gh1 h GLU 172 Cb 0.15 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 3gh1 h GLU 172 CO -0.17 0.95 0.21 -0.07 -1.16 0.00 0.00 179.01 178.77 3gh1 h LEU 173 N 1.05 0.53 -0.71 1.33 3.38 -0.28 -3.00 115.31 117.61 3gh1 h LEU 173 Ca 0.23 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.12 3gh1 h LEU 173 Cb 0.32 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 3gh1 h LEU 173 CO -0.00 0.49 0.44 1.23 0.09 0.00 0.00 178.44 180.68 3gh1 h GLY 174 N 0.53 1.03 2.00 0.83 0.00 -0.15 -1.67 103.07 105.63 3gh1 h GLY 174 Ca 0.14 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 3gh1 h GLY 174 CO -0.02 0.26 -0.02 1.41 0.00 0.00 0.00 176.54 178.17 3gh1 h LEU 175 N 0.85 0.00 -3.00 3.11 3.38 -1.27 -2.01 115.31 116.36 3gh1 h LEU 175 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3gh1 h LEU 175 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3gh1 h LEU 175 CO -0.12 0.02 0.00 0.54 0.09 0.00 0.00 178.44 178.97 3gh1 n ARG 176 N -3.30 3.26 -3.67 1.13 1.74 -0.68 -4.95 116.66 110.19 3gh1 n ARG 176 Ca -0.02 -2.68 -0.23 0.00 -0.77 0.00 0.00 57.85 54.15 3gh1 n ARG 176 Cb 0.15 -1.69 0.06 0.00 -1.02 0.00 0.00 32.46 29.95 3gh1 n ARG 176 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3gh1 n GLU 177 N 1.03 -6.22 -4.09 5.56 1.02 -0.75 -5.00 120.64 112.19 3gh1 n GLU 177 Ca 0.23 0.72 -0.28 0.00 -0.02 0.00 0.00 57.16 57.81 3gh1 n GLU 177 Cb 0.74 -5.59 -0.06 0.00 -0.02 0.00 0.00 31.44 26.51 3gh1 n GLU 177 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3gh1 s LEU 178 N -6.91 3.73 0.33 -4.62 1.43 -0.91 -4.94 118.68 106.79 3gh1 s LEU 178 Ca 0.31 -0.13 0.08 0.00 -1.03 0.00 0.00 54.13 53.36 3gh1 s LEU 178 Cb -0.15 -2.37 -0.03 0.00 0.03 0.00 0.00 46.19 43.67 3gh1 s LEU 178 CO 0.78 0.11 0.25 0.20 0.23 0.00 0.00 176.35 177.92 3gh1 s ASN 179 N -2.83 5.19 -0.08 2.29 0.01 0.37 -4.46 114.94 115.44 3gh1 s ASN 179 Ca 0.30 -0.53 0.04 0.00 -0.71 0.00 0.00 52.86 51.96 3gh1 s ASN 179 Cb -0.11 -0.96 0.00 0.00 0.41 0.00 0.00 41.25 40.59 3gh1 s ASN 179 CO 0.22 -0.31 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.66 3gh1 s ILE 180 N -2.31 1.78 -0.13 0.60 1.01 -0.78 -0.71 121.20 120.65 3gh1 s ILE 180 Ca 0.39 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 60.19 3gh1 s ILE 180 Cb -0.05 -1.54 0.01 0.00 0.01 0.00 0.00 42.46 40.88 3gh1 s ILE 180 CO 0.26 0.50 -0.19 0.00 0.00 0.00 0.00 174.94 175.50 3gh1 n THR 182 N 4.18 0.00 -0.45 0.00 5.66 0.09 -0.97 114.28 122.79 3gh1 n THR 182 Ca -0.20 -1.60 0.00 0.00 -3.05 0.00 0.00 64.05 59.20 3gh1 n THR 182 Cb 0.51 1.01 0.00 0.00 -1.55 0.00 0.00 70.33 70.30 3gh1 n THR 182 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3gh1 n GLY 183 N -0.54 -1.29 3.59 1.09 0.00 -1.26 -0.02 105.19 106.76 3gh1 n GLY 183 Ca -0.00 -1.59 -0.26 0.00 0.00 0.00 0.00 46.02 44.17 3gh1 n GLY 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gh1 n GLY 185 N -0.90 -1.04 2.75 0.00 0.00 -0.82 -4.66 105.19 100.53 3gh1 n GLY 185 Ca -0.05 -2.14 -0.20 0.00 0.00 0.00 0.00 46.02 43.63 3gh1 n GLY 185 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gh1 n PRO 186 N 0.00 -0.71 0.00 1.61 -0.04 -1.26 -3.75 135.00 130.85 3gh1 n PRO 186 Ca 0.00 -1.57 0.00 0.00 -0.04 0.00 0.00 63.50 61.89 3gh1 n PRO 186 Cb 0.00 -0.87 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 3gh1 n PRO 186 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gh1 n GLY 187 N -1.04 1.38 2.55 0.55 0.00 -1.23 -4.35 105.19 103.05 3gh1 n GLY 187 Ca 0.12 -0.55 -0.16 0.00 0.00 0.00 0.00 46.02 45.43 3gh1 n GLY 187 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gh1 n ALA 188 N 10.18 4.11 0.00 4.61 0.00 -0.05 -2.59 120.51 136.78 3gh1 n ALA 188 Ca 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 53.44 51.92 3gh1 n ALA 188 Cb 0.00 -2.76 0.00 0.00 0.00 0.00 0.00 19.45 16.69 3gh1 n ALA 188 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3gh1 n GLU 190 N 3.88 0.00 0.24 0.00 2.13 -1.25 -4.40 120.64 121.25 3gh1 n GLU 190 Ca 0.34 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 58.01 3gh1 n GLU 190 Cb 0.21 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.84 3gh1 n GLU 190 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 3gh1 h GLY 191 N 0.00 -0.70 -2.57 8.31 0.00 -1.83 -3.02 103.07 103.26 3gh1 h GLY 191 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.64 3gh1 h GLY 191 CO 0.00 -0.27 0.00 -1.05 0.00 0.00 0.00 176.54 175.22 3gh1 n PRO 192 N -5.41 0.00 0.00 4.80 -0.02 -1.21 -2.22 135.00 130.94 3gh1 n PRO 192 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 3gh1 n PRO 192 Cb 0.31 -1.42 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 3gh1 n PRO 192 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3gh1 n LYS 194 N 1.20 0.00 -0.16 -0.52 5.02 -1.14 0.20 118.16 122.76 3gh1 n LYS 194 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 3gh1 n LYS 194 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3gh1 n LYS 194 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3gh1 h GLY 195 N 0.00 0.84 1.74 0.72 0.00 -1.57 -3.19 103.07 101.61 3gh1 h GLY 195 Ca 0.00 -0.59 -0.05 0.00 0.00 0.00 0.00 47.33 46.68 3gh1 h GLY 195 CO 0.00 0.55 -0.11 0.00 0.00 0.00 0.00 176.54 176.97 3gh1 h ALA 196 N 0.93 1.44 -0.66 3.60 0.00 -0.15 -2.01 119.26 122.41 3gh1 h ALA 196 Ca 0.13 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.86 3gh1 h ALA 196 Cb 0.44 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3gh1 h ALA 196 CO 0.02 0.39 0.40 0.00 0.00 0.00 0.00 179.25 180.06 3gh1 h ALA 197 N 1.58 0.86 -0.22 0.00 0.00 -1.80 0.48 119.26 120.17 3gh1 h ALA 197 Ca 0.06 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 3gh1 h ALA 197 Cb 0.39 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3gh1 h ALA 197 CO 0.02 0.14 -0.29 0.28 0.00 0.00 0.00 179.25 179.40 3gh1 h VAL 198 N 0.77 1.32 -0.15 0.00 2.07 -1.47 -2.39 116.25 116.40 3gh1 h VAL 198 Ca 0.27 -1.48 -0.16 0.00 0.82 0.00 0.00 66.70 66.15 3gh1 h VAL 198 Cb 0.06 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 3gh1 h VAL 198 CO -0.12 0.46 -0.59 1.23 0.02 0.00 0.00 177.57 178.57 3gh1 h GLY 199 N 0.27 0.53 1.07 2.17 0.00 -0.97 -2.46 103.07 103.68 3gh1 h GLY 199 Ca 0.03 -0.64 -0.08 0.00 0.00 0.00 0.00 47.33 46.64 3gh1 h GLY 199 CO 0.07 0.58 0.13 0.45 0.00 0.00 0.00 176.54 177.76 3gh1 h HIS 200 N 0.36 1.18 -0.82 5.60 3.86 -0.11 -2.17 115.15 123.06 3gh1 h HIS 200 Ca -0.00 -0.16 0.01 0.00 -1.16 0.00 0.00 60.37 59.06 3gh1 h HIS 200 Cb 1.13 -0.33 -0.04 0.00 1.06 0.00 0.00 27.41 29.23 3gh1 h HIS 200 CO 0.04 0.98 0.54 0.00 0.86 0.00 0.00 177.93 180.35 3gh1 h ALA 201 N 1.06 1.04 -0.24 2.45 0.00 -1.20 0.20 119.26 122.58 3gh1 h ALA 201 Ca 0.21 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3gh1 h ALA 201 Cb 0.42 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3gh1 h ALA 201 CO 0.01 0.43 0.03 0.87 0.00 0.00 0.00 179.25 180.59 3gh1 h LYS 202 N 1.10 0.34 -0.13 0.00 1.57 -1.22 -2.24 116.57 115.99 3gh1 h LYS 202 Ca 0.30 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3gh1 h LYS 202 Cb -0.11 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.14 3gh1 h LYS 202 CO -0.07 0.35 0.00 0.94 -0.57 0.00 0.00 179.45 180.10 3gh1 n GLN 203 N -4.37 2.16 -2.87 3.15 -0.06 -0.83 -4.94 117.38 109.61 3gh1 n GLN 203 Ca 0.00 -1.71 -0.21 0.00 -2.00 0.00 0.00 57.00 53.09 3gh1 n GLN 203 Cb 0.18 -1.47 0.02 0.00 -4.06 0.00 0.00 30.24 24.90 3gh1 n GLN 203 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 3gh1 n ARG 204 N 1.01 -3.79 -2.91 3.69 5.12 -0.30 -4.94 116.66 114.54 3gh1 n ARG 204 Ca 0.17 0.87 -0.44 0.00 -1.93 0.00 0.00 57.85 56.51 3gh1 n ARG 204 Cb 0.52 -5.65 -0.02 0.00 -1.16 0.00 0.00 32.46 26.15 3gh1 n ARG 204 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 3gh1 s TYR 205 N -3.08 3.18 -0.60 -1.55 5.04 0.55 -4.80 117.35 116.09 3gh1 s TYR 205 Ca 0.22 -1.54 0.25 0.00 -2.44 0.00 0.00 57.07 53.55 3gh1 s TYR 205 Cb -0.10 -4.32 0.56 0.00 0.35 0.00 0.00 41.96 38.45 3gh1 s TYR 205 CO 0.27 -1.49 1.63 0.66 -1.34 0.00 0.00 175.55 175.28 3gh1 h SER 206 N 8.47 0.00 -0.39 4.32 4.64 -1.92 -3.13 113.55 125.54 3gh1 h SER 206 Ca 0.20 -0.02 -0.18 0.00 -0.47 0.00 0.00 61.79 61.32 3gh1 h SER 206 Cb 0.99 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.97 3gh1 h SER 206 CO 1.16 0.01 0.23 -1.84 -0.87 0.00 0.00 176.83 175.52 3gh1 n GLU 207 N -2.54 1.71 -1.66 4.77 0.00 -1.26 -4.97 120.64 116.69 3gh1 n GLU 207 Ca 0.04 -1.26 -0.36 0.00 0.00 0.00 0.00 57.16 55.58 3gh1 n GLU 207 Cb 0.47 -1.55 0.07 0.00 0.00 0.00 0.00 31.44 30.44 3gh1 n GLU 207 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.13 178.65 3gh1 s TYR 208 N -1.44 2.06 -0.07 -1.84 -0.85 -1.18 -5.03 117.35 109.00 3gh1 s TYR 208 Ca 0.24 1.52 0.00 0.00 -0.52 0.00 0.00 57.07 58.30 3gh1 s TYR 208 Cb 0.20 -3.64 0.02 0.00 0.38 0.00 0.00 41.96 38.92 3gh1 s TYR 208 CO 0.05 -2.85 -0.04 1.03 -1.52 0.00 0.00 175.55 172.22 3gh1 s ARG 209 N -3.51 1.01 -0.34 -3.49 0.52 -1.26 -5.04 118.95 106.84 3gh1 s ARG 209 Ca 0.81 -0.10 0.04 0.00 -0.52 0.00 0.00 55.73 55.95 3gh1 s ARG 209 Cb -0.35 -1.12 0.10 0.00 0.52 0.00 0.00 34.95 34.10 3gh1 s ARG 209 CO 0.41 -0.19 0.05 0.71 0.02 0.00 0.00 175.30 176.31 3gh1 s TYR 210 N 1.42 3.60 -0.08 -0.53 2.02 -1.26 -1.87 117.35 120.66 3gh1 s TYR 210 Ca -0.02 -2.91 -0.13 0.00 -0.37 0.00 0.00 57.07 53.64 3gh1 s TYR 210 Cb -0.13 -2.83 -0.05 0.00 -0.40 0.00 0.00 41.96 38.54 3gh1 s TYR 210 CO -0.03 -0.94 0.32 -0.51 -1.57 0.00 0.00 175.55 172.82 3gh1 s LEU 211 N 0.95 4.38 -0.14 -1.29 1.02 0.17 -1.65 118.68 122.13 3gh1 s LEU 211 Ca 0.11 0.73 -0.00 0.00 0.02 0.00 0.00 54.13 54.98 3gh1 s LEU 211 Cb -0.19 -2.42 0.03 0.00 0.02 0.00 0.00 46.19 43.63 3gh1 s LEU 211 CO -0.09 0.27 -0.08 -0.83 0.02 0.00 0.00 176.35 175.63 3gh1 s GLY 212 N -0.56 0.96 -0.07 -3.19 0.00 -0.52 -0.73 107.32 103.21 3gh1 s GLY 212 Ca 0.20 -0.75 -0.03 0.00 0.00 0.00 0.00 44.72 44.13 3gh1 s GLY 212 CO 0.09 0.79 0.09 1.08 0.00 0.00 0.00 173.10 175.15 3gh1 s LEU 213 N 1.62 4.04 0.00 0.66 1.43 0.97 -1.52 118.68 125.88 3gh1 s LEU 213 Ca 0.03 0.28 -0.01 0.00 -1.03 0.00 0.00 54.13 53.41 3gh1 s LEU 213 Cb -0.14 -2.12 0.00 0.00 0.03 0.00 0.00 46.19 43.96 3gh1 s LEU 213 CO -0.09 0.35 0.22 1.07 0.23 0.00 0.00 176.35 178.13 3gh1 n THR 214 N 1.68 0.00 -3.81 5.49 5.66 -0.55 -3.59 114.28 119.16 3gh1 n THR 214 Ca -0.17 -0.84 -0.09 0.00 -3.05 0.00 0.00 64.05 59.90 3gh1 n THR 214 Cb 0.54 0.51 -0.06 0.00 -1.55 0.00 0.00 70.33 69.77 3gh1 n THR 214 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 3gh1 s GLU 215 N -2.38 1.04 0.48 1.09 4.04 -1.26 -4.40 118.70 117.30 3gh1 s GLU 215 Ca 0.14 -0.94 0.20 0.00 0.04 0.00 0.00 54.97 54.41 3gh1 s GLU 215 Cb -0.00 0.40 1.20 0.00 0.02 0.00 0.00 34.13 35.75 3gh1 s GLU 215 CO 0.10 -0.38 2.02 -1.35 -1.84 0.00 0.00 175.26 173.81 3gh1 h PRO 216 N 2.54 0.00 -0.01 -4.83 0.11 -1.96 -1.44 132.00 126.40 3gh1 h PRO 216 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3gh1 h PRO 216 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3gh1 h PRO 216 CO 0.50 0.16 -0.13 -1.13 -0.21 0.00 0.00 178.00 177.19 3gh1 n SER 217 N -4.00 1.07 -0.00 -2.05 3.41 -1.26 -3.96 113.62 106.83 3gh1 n SER 217 Ca -0.02 -1.07 0.01 0.00 -0.26 0.00 0.00 58.87 57.53 3gh1 n SER 217 Cb 0.25 0.05 -0.01 0.00 -0.26 0.00 0.00 64.21 64.23 3gh1 n SER 217 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gh1 n ILE 218 N -0.41 0.00 -0.18 -1.33 0.13 -0.63 -4.63 119.36 112.30 3gh1 n ILE 218 Ca 0.15 -0.40 -0.03 0.00 -1.10 0.00 0.00 62.75 61.38 3gh1 n ILE 218 Cb 0.33 0.93 0.17 0.00 -0.84 0.00 0.00 39.64 40.23 3gh1 n ILE 218 CO 0.00 0.00 0.00 -0.29 2.80 0.00 0.00 176.55 179.06 3gh1 h ILE 219 N 0.00 1.23 -0.65 9.51 2.10 -1.46 -0.47 117.51 127.78 3gh1 h ILE 219 Ca 0.00 -0.73 -0.00 0.00 1.08 0.00 0.00 64.86 65.20 3gh1 h ILE 219 Cb 0.06 0.49 -0.03 0.00 -1.09 0.00 0.00 36.82 36.25 3gh1 h ILE 219 CO 0.00 0.29 0.40 0.00 -1.08 0.00 0.00 178.15 177.76 3gh1 h ALA 220 N 1.34 0.82 0.00 0.18 0.00 -1.87 -2.36 119.26 117.37 3gh1 h ALA 220 Ca 0.21 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 3gh1 h ALA 220 Cb 0.20 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3gh1 h ALA 220 CO -0.02 0.28 -0.56 0.00 0.00 0.00 0.00 179.25 178.96 3gh1 h ALA 221 N 1.21 0.78 -2.23 0.00 0.00 -1.74 -3.38 119.26 113.90 3gh1 h ALA 221 Ca 0.23 -0.51 -0.58 0.00 0.00 0.00 0.00 54.91 54.06 3gh1 h ALA 221 Cb -0.05 -0.09 -0.40 0.00 0.00 0.00 0.00 17.79 17.26 3gh1 h ALA 221 CO -0.05 0.70 -0.93 0.39 0.00 0.00 0.00 179.25 179.36 3gh1 n GLU 222 N -3.44 1.01 -2.65 0.00 1.02 -0.23 -4.51 120.64 111.84 3gh1 n GLU 222 Ca 0.00 -3.59 -0.31 0.00 -0.02 0.00 0.00 57.16 53.24 3gh1 n GLU 222 Cb 0.67 -1.62 -0.04 0.00 -0.02 0.00 0.00 31.44 30.44 3gh1 n GLU 222 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3gh1 s PRO 223 N -1.13 3.88 0.11 3.49 0.04 -0.92 -3.66 135.00 136.82 3gh1 s PRO 223 Ca 0.34 0.73 -0.31 0.00 0.04 0.00 0.00 61.00 61.81 3gh1 s PRO 223 Cb 0.11 -2.26 -0.08 0.00 0.04 0.00 0.00 34.50 32.31 3gh1 s PRO 223 CO -0.12 -0.14 1.34 -1.25 0.04 0.00 0.00 177.00 176.87 3gh1 s PRO 224 N -3.89 4.35 0.48 0.56 0.04 -1.26 -1.94 135.00 133.35 3gh1 s PRO 224 Ca 0.55 2.01 -0.23 0.00 0.04 0.00 0.00 61.00 63.38 3gh1 s PRO 224 Cb -0.10 -3.26 -0.07 0.00 0.04 0.00 0.00 34.50 31.11 3gh1 s PRO 224 CO 0.30 -0.38 1.24 1.21 0.04 0.00 0.00 177.00 179.41 3gh1 s ASN 225 N 1.00 5.88 0.66 6.66 3.84 -1.26 -4.74 114.94 126.99 3gh1 s ASN 225 Ca 0.62 2.47 0.40 0.00 0.21 0.00 0.00 52.86 56.57 3gh1 s ASN 225 Cb -0.35 -2.62 2.18 0.00 -0.55 0.00 0.00 41.25 39.91 3gh1 s ASN 225 CO 0.31 -1.13 2.24 -0.65 -2.79 0.00 0.00 177.10 175.08 3gh1 h PRO 226 N 1.89 0.00 0.00 0.43 0.11 -1.94 -2.35 132.00 130.13 3gh1 h PRO 226 Ca -0.50 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 3gh1 h PRO 226 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 3gh1 h PRO 226 CO 0.59 0.00 -0.07 0.97 -0.21 0.00 0.00 178.00 179.28 3gh1 h ILE 227 N 0.00 0.17 -2.43 4.15 2.10 -1.94 -3.43 117.51 116.13 3gh1 h ILE 227 Ca 0.00 -0.79 -0.53 0.00 1.08 0.00 0.00 64.86 64.62 3gh1 h ILE 227 Cb 0.20 1.67 0.02 0.00 -1.09 0.00 0.00 36.82 37.62 3gh1 h ILE 227 CO -0.00 0.07 1.19 -0.69 -1.08 0.00 0.00 178.15 177.64 3gh1 s VAL 228 N -3.58 3.09 -1.87 2.19 1.01 -0.89 -4.83 120.40 115.52 3gh1 s VAL 228 Ca 0.02 0.16 0.18 0.00 0.00 0.00 0.00 61.98 62.34 3gh1 s VAL 228 Cb 0.09 -3.10 0.05 0.00 0.00 0.00 0.00 36.38 33.41 3gh1 s VAL 228 CO 0.59 -0.01 0.98 -0.46 0.00 0.00 0.00 175.10 176.19 3gh1 n ASN 229 N 7.30 2.03 -3.59 3.32 6.94 -0.66 -4.68 115.26 125.92 3gh1 n ASN 229 Ca 0.19 -1.51 -0.29 0.00 -0.02 0.00 0.00 54.58 52.95 3gh1 n ASN 229 Cb 0.41 0.30 -0.14 0.00 -2.36 0.00 0.00 39.78 37.99 3gh1 n ASN 229 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 3gh1 s GLU 230 N -1.86 0.54 0.01 -3.83 2.02 -0.97 -4.94 118.70 109.68 3gh1 s GLU 230 Ca 0.17 -1.04 -0.20 0.00 0.02 0.00 0.00 54.97 53.92 3gh1 s GLU 230 Cb 0.15 -1.55 -0.06 0.00 0.10 0.00 0.00 34.13 32.77 3gh1 s GLU 230 CO 0.37 -1.07 0.59 -1.17 0.02 0.00 0.00 175.26 173.99 3gh1 s LEU 231 N 1.52 4.44 -0.04 1.80 2.96 -1.26 -1.44 118.68 126.65 3gh1 s LEU 231 Ca 0.12 1.18 0.01 0.00 -0.22 0.00 0.00 54.13 55.23 3gh1 s LEU 231 Cb -0.19 -2.92 0.02 0.00 0.50 0.00 0.00 46.19 43.60 3gh1 s LEU 231 CO -0.20 0.13 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.22 3gh1 s VAL 232 N -0.36 0.59 0.38 1.68 1.01 -0.57 -4.87 120.40 118.25 3gh1 s VAL 232 Ca 0.31 -0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.20 3gh1 s VAL 232 Cb -0.18 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.58 3gh1 s VAL 232 CO 0.17 0.23 0.34 -0.63 0.00 0.00 0.00 175.10 175.22 3gh1 s ILE 233 N 0.85 3.12 -0.16 2.22 1.09 -1.26 -1.48 121.20 125.58 3gh1 s ILE 233 Ca -0.12 -1.34 0.14 0.00 -1.10 0.00 0.00 60.65 58.23 3gh1 s ILE 233 Cb -0.14 -3.10 -0.20 0.00 -1.06 0.00 0.00 42.46 37.96 3gh1 s ILE 233 CO 0.01 -0.09 0.06 -2.65 -0.10 0.00 0.00 174.94 172.17 3gh1 n PRO 235 N -1.47 1.34 -3.85 2.79 -0.02 -1.26 -4.82 135.00 127.70 3gh1 n PRO 235 Ca 0.01 -0.01 -0.09 0.00 -2.02 0.00 0.00 63.50 61.39 3gh1 n PRO 235 Cb 0.61 -1.42 0.00 0.00 -0.02 0.00 0.00 33.50 32.67 3gh1 n PRO 235 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 3gh1 s ASP 236 N -4.98 -0.03 0.18 2.55 1.47 -1.26 -4.60 116.67 110.00 3gh1 s ASP 236 Ca -0.08 -0.98 -0.12 0.00 1.18 0.00 0.00 52.55 52.55 3gh1 s ASP 236 Cb 0.05 0.79 0.08 0.00 -0.34 0.00 0.00 42.92 43.50 3gh1 s ASP 236 CO 0.67 -1.53 1.74 0.40 0.68 0.00 0.00 175.17 177.13 3gh1 h ILE 237 N 2.02 1.23 -0.39 2.11 1.08 -1.97 -2.61 117.51 118.98 3gh1 h ILE 237 Ca -0.27 -0.70 -0.10 0.00 -0.39 0.00 0.00 64.86 63.40 3gh1 h ILE 237 Cb 1.25 0.55 -0.02 0.00 -3.07 0.00 0.00 36.82 35.53 3gh1 h ILE 237 CO 0.34 0.28 -0.15 -0.33 -0.69 0.00 0.00 178.15 177.60 3gh1 h GLU 238 N 0.85 0.72 -0.26 2.37 3.07 -1.92 -1.52 114.58 117.89 3gh1 h GLU 238 Ca 0.20 -0.25 -0.13 0.00 -0.50 0.00 0.00 59.36 58.69 3gh1 h GLU 238 Cb 0.19 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 3gh1 h GLU 238 CO -0.02 0.83 -0.36 0.87 -1.40 0.00 0.00 179.01 178.93 3gh1 h LYS 239 N 0.65 0.59 -0.34 2.33 1.57 -1.86 -0.25 116.57 119.25 3gh1 h LYS 239 Ca 0.11 -0.28 -0.13 0.00 -1.87 0.00 0.00 60.65 58.47 3gh1 h LYS 239 Cb 0.62 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 3gh1 h LYS 239 CO 0.04 0.86 -0.31 -0.09 -0.57 0.00 0.00 179.45 179.39 3gh1 h ARG 240 N 0.49 0.74 -0.42 3.15 2.43 -1.27 0.21 114.38 119.71 3gh1 h ARG 240 Ca 0.05 -0.34 -0.00 0.00 -0.81 0.00 0.00 59.98 58.88 3gh1 h ARG 240 Cb 0.86 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.37 3gh1 h ARG 240 CO 0.07 0.95 0.25 -0.07 -1.51 0.00 0.00 179.97 179.67 3gh1 h LEU 241 N 0.63 0.50 -0.63 3.80 3.38 -1.09 -0.37 115.31 121.53 3gh1 h LEU 241 Ca 0.07 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 3gh1 h LEU 241 Cb 0.84 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 3gh1 h LEU 241 CO 0.07 0.40 -0.11 -0.08 0.09 0.00 0.00 178.44 178.81 3gh1 h GLU 242 N 0.55 0.96 -0.35 1.13 4.81 -0.75 -2.34 114.58 118.61 3gh1 h GLU 242 Ca 0.15 -0.35 0.03 0.00 -0.13 0.00 0.00 59.36 59.06 3gh1 h GLU 242 Cb -0.01 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 3gh1 h GLU 242 CO -0.03 1.02 0.15 0.00 -0.73 0.00 0.00 179.01 179.42 3gh1 h ALA 243 N 1.00 0.42 -0.22 2.92 0.00 -0.28 -0.55 119.26 122.55 3gh1 h ALA 243 Ca 0.14 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.12 3gh1 h ALA 243 Cb 0.66 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 3gh1 h ALA 243 CO 0.05 -0.23 -0.10 0.74 0.00 0.00 0.00 179.25 179.71 3gh1 h PHE 244 N 0.32 -0.23 0.00 0.00 0.04 -0.83 -3.06 116.94 113.18 3gh1 h PHE 244 Ca 0.15 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.94 3gh1 h PHE 244 Cb 0.09 0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.37 3gh1 h PHE 244 CO -0.12 -0.15 -0.19 -0.39 -0.60 0.00 0.00 178.31 176.86 3gh1 h VAL 245 N -0.07 0.00 -0.12 -0.55 -1.51 -1.15 -0.54 116.25 112.31 3gh1 h VAL 245 Ca 0.12 -0.96 -0.06 0.00 -1.23 0.00 0.00 66.70 64.57 3gh1 h VAL 245 Cb 0.24 1.86 -0.04 0.00 -2.13 0.00 0.00 31.29 31.23 3gh1 h VAL 245 CO -0.26 0.00 0.08 0.54 -1.23 0.00 0.00 177.57 176.69 3gh1 n ARG 246 N -2.96 1.20 -1.14 5.19 1.74 -0.24 -4.86 116.66 115.59 3gh1 n ARG 246 Ca 0.03 -0.39 0.00 0.00 -0.77 0.00 0.00 57.85 56.72 3gh1 n ARG 246 Cb 0.53 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.76 3gh1 n ARG 246 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gh1 n ALA 248 N 0.26 -1.15 -0.03 7.54 0.00 -0.21 -0.31 120.51 126.61 3gh1 n ALA 248 Ca 0.07 0.08 0.06 0.00 0.00 0.00 0.00 53.44 53.65 3gh1 n ALA 248 Cb 0.62 -0.65 -0.16 0.00 0.00 0.00 0.00 19.45 19.26 3gh1 n ALA 248 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3gh1 n HIS 249 N -0.89 0.00 -3.74 0.00 -0.00 -0.07 -4.97 115.22 105.56 3gh1 n HIS 249 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.63 3gh1 n HIS 249 Cb 0.00 -0.58 -0.04 0.00 -0.00 0.00 0.00 29.99 29.37 3gh1 n HIS 249 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 3gh1 s GLY 250 N -4.60 -0.09 -0.03 -1.41 0.00 -1.16 -4.05 107.32 95.98 3gh1 s GLY 250 Ca -0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 44.72 44.41 3gh1 s GLY 250 CO 0.84 -0.24 0.05 -0.42 0.00 0.00 0.00 173.10 173.33 3gh1 s ILE 251 N -3.88 -0.08 -0.13 0.90 1.01 0.08 -1.04 121.20 118.06 3gh1 s ILE 251 Ca 0.09 0.28 -0.02 0.00 0.00 0.00 0.00 60.65 61.01 3gh1 s ILE 251 Cb -0.01 -0.12 -0.03 0.00 0.01 0.00 0.00 42.46 42.31 3gh1 s ILE 251 CO -0.02 0.12 -0.05 -0.63 0.00 0.00 0.00 174.94 174.36 3gh1 s ILE 252 N 1.46 3.82 -0.19 2.92 1.01 0.23 -1.23 121.20 129.22 3gh1 s ILE 252 Ca -0.04 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.22 3gh1 s ILE 252 Cb -0.13 -2.64 0.03 0.00 0.01 0.00 0.00 42.46 39.74 3gh1 s ILE 252 CO -0.03 0.53 -0.16 -0.63 0.00 0.00 0.00 174.94 174.65 3gh1 s ILE 253 N -0.04 1.94 0.56 2.92 1.01 0.09 -0.66 121.20 127.01 3gh1 s ILE 253 Ca 0.01 -1.01 0.02 0.00 0.00 0.00 0.00 60.65 59.67 3gh1 s ILE 253 Cb -0.13 -1.84 0.04 0.00 0.01 0.00 0.00 42.46 40.54 3gh1 s ILE 253 CO 0.03 0.38 0.78 -0.36 0.00 0.00 0.00 174.94 175.76 3gh1 s PHE 254 N 1.31 2.69 0.37 3.97 0.08 0.79 -0.92 117.98 126.28 3gh1 s PHE 254 Ca 0.02 -0.09 -0.26 0.00 0.12 0.00 0.00 56.93 56.71 3gh1 s PHE 254 Cb -0.15 -2.73 -0.11 0.00 -0.57 0.00 0.00 43.02 39.46 3gh1 s PHE 254 CO -0.11 -0.92 1.18 -2.30 -0.10 0.00 0.00 175.22 172.98 3gh1 n PRO 255 N -2.34 1.79 -2.66 0.24 -0.02 -1.26 -4.45 135.00 126.31 3gh1 n PRO 255 Ca 0.09 0.63 -0.06 0.00 -2.02 0.00 0.00 63.50 62.14 3gh1 n PRO 255 Cb 0.60 -2.21 -0.00 0.00 -0.02 0.00 0.00 33.50 31.86 3gh1 n PRO 255 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gh1 n GLY 256 N 0.93 2.00 0.00 -1.23 0.00 -1.26 -1.32 105.19 104.32 3gh1 n GLY 256 Ca 0.07 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.77 3gh1 n GLY 256 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gh1 n GLY 257 N -0.30 1.65 0.32 -0.02 0.00 -1.26 -4.82 105.19 100.76 3gh1 n GLY 257 Ca -0.02 -1.72 0.05 0.00 0.00 0.00 0.00 46.02 44.33 3gh1 n GLY 257 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gh1 h PRO 258 N 0.00 0.56 -0.45 1.61 0.13 -1.92 -1.62 132.00 130.31 3gh1 h PRO 258 Ca 0.00 -0.03 -0.14 0.00 -0.87 0.00 0.00 66.00 64.96 3gh1 h PRO 258 Cb 0.00 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 30.99 3gh1 h PRO 258 CO 0.00 0.37 -0.26 0.78 -0.23 0.00 0.00 178.00 178.66 3gh1 h GLY 259 N 0.58 1.05 1.41 1.56 0.00 -1.94 -0.08 103.07 105.65 3gh1 h GLY 259 Ca 0.18 -0.97 -0.19 0.00 0.00 0.00 0.00 47.33 46.36 3gh1 h GLY 259 CO -0.04 0.88 -0.68 -0.84 0.00 0.00 0.00 176.54 175.85 3gh1 h THR 260 N 0.83 1.33 -0.64 4.70 2.02 -1.80 -2.63 112.91 116.71 3gh1 h THR 260 Ca 0.10 -1.97 -0.03 0.00 0.77 0.00 0.00 66.41 65.27 3gh1 h THR 260 Cb 0.84 1.95 -0.03 0.00 -1.74 0.00 0.00 68.15 69.17 3gh1 h THR 260 CO 0.07 0.61 0.27 0.00 0.37 0.00 0.00 175.52 176.84 3gh1 h ALA 261 N 0.82 0.84 -0.40 6.16 0.00 -1.10 -1.66 119.26 123.92 3gh1 h ALA 261 Ca -0.02 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.80 3gh1 h ALA 261 Cb 1.27 -0.25 -0.09 0.00 0.00 0.00 0.00 17.79 18.72 3gh1 h ALA 261 CO 0.13 0.44 -0.21 1.49 0.00 0.00 0.00 179.25 181.10 3gh1 h GLU 262 N 0.90 -0.13 -0.82 0.00 4.81 -0.97 0.82 114.58 119.18 3gh1 h GLU 262 Ca 0.22 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 3gh1 h GLU 262 Cb 0.19 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 3gh1 h GLU 262 CO -0.02 -0.09 0.44 0.93 -0.73 0.00 0.00 179.01 179.54 3gh1 h GLU 263 N -0.14 1.15 -0.28 1.92 5.08 -1.26 0.01 114.58 121.07 3gh1 h GLU 263 Ca 0.19 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 3gh1 h GLU 263 Cb 0.44 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3gh1 h GLU 263 CO -0.49 0.85 -0.12 1.25 -1.00 0.00 0.00 179.01 179.51 3gh1 h LEU 264 N 1.16 0.59 -0.79 1.33 5.85 -0.76 -1.82 115.31 120.88 3gh1 h LEU 264 Ca 0.29 -0.40 -0.12 0.00 0.84 0.00 0.00 57.88 58.49 3gh1 h LEU 264 Cb 0.05 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 3gh1 h LEU 264 CO -0.04 0.86 -0.42 -0.07 -0.34 0.00 0.00 178.44 178.42 3gh1 h LEU 265 N 0.32 0.42 0.29 2.25 3.38 -0.65 -1.16 115.31 120.17 3gh1 h LEU 265 Ca 0.07 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3gh1 h LEU 265 Cb 0.62 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 3gh1 h LEU 265 CO 0.04 0.80 -0.30 0.22 0.09 0.00 0.00 178.44 179.29 3gh1 h TYR 266 N 0.33 -0.79 -0.42 1.13 3.20 -0.70 -1.83 116.97 117.89 3gh1 h TYR 266 Ca 0.03 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.76 3gh1 h TYR 266 Cb 0.88 0.31 -0.01 0.00 1.54 0.00 0.00 36.73 39.45 3gh1 h TYR 266 CO 0.03 -0.42 -0.28 0.97 -1.64 0.00 0.00 178.16 176.81 3gh1 h ILE 267 N -0.62 1.27 -0.56 1.81 6.09 -1.21 -2.76 117.51 121.53 3gh1 h ILE 267 Ca -0.01 -1.44 -0.04 0.00 -1.37 0.00 0.00 64.86 61.99 3gh1 h ILE 267 Cb 0.57 1.28 -0.03 0.00 0.47 0.00 0.00 36.82 39.11 3gh1 h ILE 267 CO -0.06 0.49 0.18 -0.07 -3.07 0.00 0.00 178.15 175.62 3gh1 h LEU 268 N 0.76 0.77 -1.01 2.19 3.38 -1.21 -2.83 115.31 117.35 3gh1 h LEU 268 Ca 0.08 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 3gh1 h LEU 268 Cb 0.86 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 3gh1 h LEU 268 CO 0.08 0.72 0.04 1.23 0.09 0.00 0.00 178.44 180.59 3gh1 h GLY 269 N 0.96 0.81 -7.45 0.83 0.00 -1.24 -3.44 103.07 93.54 3gh1 h GLY 269 Ca 0.19 -0.50 -0.39 0.00 0.00 0.00 0.00 47.33 46.62 3gh1 h GLY 269 CO -0.01 0.47 1.20 -0.42 0.00 0.00 0.00 176.54 177.77 3gh1 s ILE 270 N -5.05 3.63 0.00 2.60 1.01 -1.05 -4.72 121.20 117.63 3gh1 s ILE 270 Ca -0.09 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.61 3gh1 s ILE 270 Cb 0.15 -4.58 0.00 0.00 0.01 0.00 0.00 42.46 38.04 3gh1 s ILE 270 CO 0.80 -1.19 0.00 1.57 0.00 0.00 0.00 174.94 176.12 3gh1 n HIS 273 N 13.09 0.00 -0.28 3.97 -0.00 -1.26 -4.78 115.22 125.95 3gh1 n HIS 273 Ca 0.44 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 58.28 3gh1 n HIS 273 Cb 0.47 0.00 0.38 0.00 -0.00 0.00 0.00 29.99 30.84 3gh1 n HIS 273 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3gh1 h PRO 274 N 0.00 0.67 0.00 1.57 0.11 -2.01 0.86 132.00 133.20 3gh1 h PRO 274 Ca 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.07 3gh1 h PRO 274 Cb 0.00 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 30.96 3gh1 h PRO 274 CO 0.00 0.44 0.00 0.93 -0.21 0.00 0.00 178.00 179.16 3gh1 h GLU 275 N 0.69 0.00 -0.67 1.05 5.08 -1.98 -2.41 114.58 116.34 3gh1 h GLU 275 Ca 0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.83 3gh1 h GLU 275 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 3gh1 h GLU 275 CO -0.23 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 177.87 3gh1 n ASN 276 N -2.40 4.00 0.29 1.42 3.02 0.29 -4.65 115.26 117.23 3gh1 n ASN 276 Ca -0.02 -2.09 0.16 0.00 -0.03 0.00 0.00 54.58 52.60 3gh1 n ASN 276 Cb 0.05 -0.48 0.87 0.00 -0.61 0.00 0.00 39.78 39.61 3gh1 n ASN 276 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gh1 h ALA 277 N 3.99 1.26 -0.53 5.41 0.00 -1.44 -0.96 119.26 126.98 3gh1 h ALA 277 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3gh1 h ALA 277 Cb 1.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3gh1 h ALA 277 CO 0.04 0.07 0.00 -0.40 0.00 0.00 0.00 179.25 178.97 3gh1 n ASP 278 N -3.53 3.64 -4.67 0.00 5.75 -1.26 -4.93 116.55 111.54 3gh1 n ASP 278 Ca -0.02 -1.99 -0.43 0.00 -0.01 0.00 0.00 54.79 52.35 3gh1 n ASP 278 Cb 0.17 -0.35 -0.02 0.00 -1.03 0.00 0.00 41.12 39.89 3gh1 n ASP 278 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3gh1 s GLN 279 N -1.25 4.29 0.64 0.11 -1.52 -0.37 -5.02 119.66 116.54 3gh1 s GLN 279 Ca 0.42 1.71 -0.01 0.00 -1.95 0.00 0.00 55.36 55.54 3gh1 s GLN 279 Cb 0.23 -3.66 0.07 0.00 -0.22 0.00 0.00 33.01 29.43 3gh1 s GLN 279 CO 0.31 -0.59 0.89 -1.25 -0.25 0.00 0.00 175.29 174.41 3gh1 s PRO 280 N 2.85 2.17 -0.00 2.91 0.04 -1.26 -5.11 135.00 136.60 3gh1 s PRO 280 Ca 0.57 -0.82 0.03 0.00 0.04 0.00 0.00 61.00 60.81 3gh1 s PRO 280 Cb -0.24 -2.38 -0.01 0.00 0.04 0.00 0.00 34.50 31.91 3gh1 s PRO 280 CO 0.19 -1.06 -0.08 -1.25 0.04 0.00 0.00 177.00 174.84 3gh1 s PRO 282 N -4.98 0.65 -0.17 0.56 0.04 -1.26 -4.94 135.00 124.91 3gh1 s PRO 282 Ca 0.61 -0.33 0.01 0.00 0.04 0.00 0.00 61.00 61.32 3gh1 s PRO 282 Cb -0.09 -0.62 0.02 0.00 0.04 0.00 0.00 34.50 33.85 3gh1 s PRO 282 CO 0.41 0.17 -0.17 0.42 0.04 0.00 0.00 177.00 177.88 3gh1 s ILE 283 N -0.28 1.82 -0.15 0.56 1.01 -1.26 -0.74 121.20 122.15 3gh1 s ILE 283 Ca 0.02 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 59.88 3gh1 s ILE 283 Cb -0.04 -1.68 0.01 0.00 0.01 0.00 0.00 42.46 40.76 3gh1 s ILE 283 CO -0.00 0.47 -0.21 -0.69 0.00 0.00 0.00 174.94 174.52 3gh1 s VAL 284 N 1.38 2.01 -0.04 2.92 1.01 -0.37 -1.52 120.40 125.80 3gh1 s VAL 284 Ca 0.04 -0.93 -0.23 0.00 0.00 0.00 0.00 61.98 60.86 3gh1 s VAL 284 Cb -0.13 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 3gh1 s VAL 284 CO -0.12 0.54 0.70 -0.76 0.00 0.00 0.00 175.10 175.46 3gh1 s LEU 285 N 1.03 4.35 0.03 3.92 1.02 -0.12 -0.73 118.68 128.18 3gh1 s LEU 285 Ca -0.02 1.24 -0.18 0.00 0.02 0.00 0.00 54.13 55.18 3gh1 s LEU 285 Cb -0.14 -3.09 0.04 0.00 0.02 0.00 0.00 46.19 43.01 3gh1 s LEU 285 CO -0.06 -0.07 0.41 0.28 0.02 0.00 0.00 176.35 176.93 3gh1 s THR 286 N 0.53 0.05 0.07 5.49 -1.32 -0.09 -0.20 115.64 120.17 3gh1 s THR 286 Ca 0.37 -0.44 -0.27 0.00 -1.21 0.00 0.00 61.69 60.14 3gh1 s THR 286 Cb -0.18 -0.90 0.09 0.00 -1.51 0.00 0.00 72.50 70.00 3gh1 s THR 286 CO 0.19 -0.24 1.16 -0.83 -2.21 0.00 0.00 174.62 172.68 3gh1 s GLY 287 N -1.83 -0.20 0.95 6.08 0.00 -1.22 -4.07 107.32 107.03 3gh1 s GLY 287 Ca -0.07 0.21 -0.12 0.00 0.00 0.00 0.00 44.72 44.74 3gh1 s GLY 287 CO -0.00 1.64 1.09 2.56 0.00 0.00 0.00 173.10 178.39 3gh1 s PRO 288 N -2.48 0.81 0.34 2.90 0.04 -1.26 -0.45 135.00 134.90 3gh1 s PRO 288 Ca 0.18 0.82 0.14 0.00 0.04 0.00 0.00 61.00 62.18 3gh1 s PRO 288 Cb 0.01 -1.76 1.02 0.00 0.04 0.00 0.00 34.50 33.82 3gh1 s PRO 288 CO 0.00 -2.55 1.70 -0.22 0.04 0.00 0.00 177.00 175.98 3gh1 h LYS 289 N -1.77 0.42 0.00 4.56 3.64 -1.92 0.13 116.57 121.63 3gh1 h LYS 289 Ca -0.51 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 3gh1 h LYS 289 Cb 1.30 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 3gh1 h LYS 289 CO 0.54 0.28 0.00 0.00 -2.27 0.00 0.00 179.45 177.99 3gh1 n GLN 290 N -4.90 0.01 -0.17 1.90 10.64 -1.26 -1.81 117.38 121.79 3gh1 n GLN 290 Ca 0.29 0.36 0.11 0.00 -1.83 0.00 0.00 57.00 55.93 3gh1 n GLN 290 Cb 0.89 -1.52 0.26 0.00 -0.86 0.00 0.00 30.24 29.02 3gh1 n GLN 290 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 3gh1 n SER 291 N -1.54 2.91 -0.22 2.61 3.41 0.47 -4.37 113.62 116.89 3gh1 n SER 291 Ca 0.02 -1.92 0.00 0.00 -0.26 0.00 0.00 58.87 56.72 3gh1 n SER 291 Cb 0.11 -0.22 0.12 0.00 -0.26 0.00 0.00 64.21 63.95 3gh1 n SER 291 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3gh1 h GLU 292 N 3.72 0.50 -0.37 4.33 4.81 -1.46 0.06 114.58 126.18 3gh1 h GLU 292 Ca 0.00 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 3gh1 h GLU 292 Cb 0.82 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 3gh1 h GLU 292 CO 0.00 0.33 0.03 0.00 -0.73 0.00 0.00 179.01 178.64 3gh1 h ALA 293 N 1.41 0.50 -0.63 2.92 0.00 -1.85 -0.91 119.26 120.70 3gh1 h ALA 293 Ca 0.32 -0.23 0.09 0.00 0.00 0.00 0.00 54.91 55.09 3gh1 h ALA 293 Cb 0.36 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 3gh1 h ALA 293 CO -0.27 0.24 0.27 -0.92 0.00 0.00 0.00 179.25 178.57 3gh1 h TYR 294 N 0.47 0.48 -0.07 0.00 3.20 -1.71 -1.88 116.97 117.47 3gh1 h TYR 294 Ca 0.11 0.03 -0.21 0.00 3.14 0.00 0.00 58.73 61.80 3gh1 h TYR 294 Cb 0.42 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.57 3gh1 h TYR 294 CO 0.03 0.16 -0.81 0.74 -1.64 0.00 0.00 178.16 176.64 3gh1 h PHE 295 N 0.48 0.69 -0.51 -3.82 0.04 -0.58 -1.41 116.94 111.83 3gh1 h PHE 295 Ca 0.31 -0.33 0.10 0.00 2.80 0.00 0.00 57.97 60.85 3gh1 h PHE 295 Cb 0.35 -0.10 -0.08 0.00 2.20 0.00 0.00 35.95 38.32 3gh1 h PHE 295 CO -0.14 1.12 0.03 0.00 -0.60 0.00 0.00 178.31 178.72 3gh1 h ARG 296 N 0.32 0.15 -0.47 1.51 3.08 -0.98 0.17 114.38 118.16 3gh1 h ARG 296 Ca -0.05 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 3gh1 h ARG 296 Cb 1.42 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.41 3gh1 h ARG 296 CO 0.15 0.10 0.10 1.03 -1.07 0.00 0.00 179.97 180.28 3gh1 h SER 297 N 0.15 0.73 0.12 7.04 0.87 -1.20 -1.83 113.55 119.44 3gh1 h SER 297 Ca 0.26 -0.24 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 3gh1 h SER 297 Cb 0.39 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 3gh1 h SER 297 CO -0.40 0.78 -0.06 0.25 -0.53 0.00 0.00 176.83 176.87 3gh1 h LEU 298 N 0.64 -0.14 -0.61 2.23 5.85 -1.03 0.12 115.31 122.37 3gh1 h LEU 298 Ca 0.15 -0.14 0.11 0.00 0.84 0.00 0.00 57.88 58.83 3gh1 h LEU 298 Cb 0.35 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.33 3gh1 h LEU 298 CO 0.00 0.06 0.18 -0.78 -0.34 0.00 0.00 178.44 177.57 3gh1 h ASP 299 N -0.34 0.12 -0.27 1.25 3.58 -0.68 -1.10 116.42 118.98 3gh1 h ASP 299 Ca -0.02 0.10 -0.03 0.00 0.42 0.00 0.00 57.03 57.50 3gh1 h ASP 299 Cb 0.27 0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 3gh1 h ASP 299 CO 0.03 0.07 0.04 0.50 -2.88 0.00 0.00 179.24 177.00 3gh1 h LYS 300 N 0.33 0.45 -0.51 0.28 3.64 -1.24 -2.27 116.57 117.25 3gh1 h LYS 300 Ca 0.31 -0.12 0.10 0.00 -1.27 0.00 0.00 60.65 59.68 3gh1 h LYS 300 Cb 0.43 -0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 32.10 3gh1 h LYS 300 CO -0.36 0.56 -0.22 0.35 -2.27 0.00 0.00 179.45 177.51 3gh1 h PHE 301 N 0.26 -0.57 -0.14 1.91 3.57 -0.30 -1.21 116.94 120.48 3gh1 h PHE 301 Ca 0.08 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.64 3gh1 h PHE 301 Cb 0.33 0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 3gh1 h PHE 301 CO 0.02 -0.31 0.09 0.82 -2.23 0.00 0.00 178.31 176.70 3gh1 h ILE 302 N -0.11 1.05 0.00 1.41 1.08 -0.95 -0.95 117.51 119.04 3gh1 h ILE 302 Ca 0.24 -0.12 -0.20 0.00 -0.39 0.00 0.00 64.86 64.39 3gh1 h ILE 302 Cb 0.48 0.89 -0.03 0.00 -3.07 0.00 0.00 36.82 35.09 3gh1 h ILE 302 CO -0.58 0.05 -0.95 0.71 -0.69 0.00 0.00 178.15 176.69 3gh1 h THR 303 N 0.17 1.65 -0.84 -0.27 1.35 -1.38 0.34 112.91 113.92 3gh1 h THR 303 Ca 0.05 -3.28 -0.02 0.00 -0.55 0.00 0.00 66.41 62.61 3gh1 h THR 303 Cb 0.01 2.78 -0.04 0.00 -1.73 0.00 0.00 68.15 69.17 3gh1 h THR 303 CO -0.01 0.93 0.45 0.44 -0.25 0.00 0.00 175.52 177.07 3gh1 h ASP 304 N 0.00 1.06 0.02 5.36 3.32 -1.25 -0.92 116.42 124.00 3gh1 h ASP 304 Ca -0.01 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 56.85 3gh1 h ASP 304 Cb 1.71 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.98 3gh1 h ASP 304 CO 0.12 0.86 -0.46 0.71 -1.72 0.00 0.00 179.24 178.75 3gh1 h THR 305 N 1.18 1.51 -0.00 0.35 1.35 -1.10 -3.40 112.91 112.80 3gh1 h THR 305 Ca 0.29 -2.33 0.00 0.00 -0.55 0.00 0.00 66.41 63.83 3gh1 h THR 305 Cb 0.05 3.05 0.00 0.00 -1.73 0.00 0.00 68.15 69.52 3gh1 h THR 305 CO -0.04 0.55 -0.85 0.18 -0.25 0.00 0.00 175.52 175.11 3gh1 n LEU 306 N -4.48 1.17 0.00 3.87 4.77 0.10 -5.01 117.00 117.42 3gh1 n LEU 306 Ca -0.17 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 3gh1 n LEU 306 Cb 0.58 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 3gh1 n LEU 306 CO 0.32 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 3gh1 n GLY 307 N 1.48 1.02 0.28 -0.72 0.00 -0.35 -4.38 105.19 102.51 3gh1 n GLY 307 Ca 0.05 -1.88 0.18 0.00 0.00 0.00 0.00 46.02 44.38 3gh1 n GLY 307 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3gh1 h GLU 308 N 0.00 0.00 0.00 1.61 4.22 -1.90 -2.15 114.58 116.36 3gh1 h GLU 308 Ca 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.44 3gh1 h GLU 308 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3gh1 h GLU 308 CO 0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 179.01 176.83 3gh1 h ALA 309 N 2.03 1.70 0.00 2.92 0.00 -1.91 -2.19 119.26 121.80 3gh1 h ALA 309 Ca 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3gh1 h ALA 309 Cb 0.36 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3gh1 h ALA 309 CO 0.00 0.01 -0.18 0.00 0.00 0.00 0.00 179.25 179.08 3gh1 h ALA 310 N 2.00 1.31 -0.45 0.00 0.00 -1.59 -3.16 119.26 117.36 3gh1 h ALA 310 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3gh1 h ALA 310 Cb 0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3gh1 h ALA 310 CO 0.00 0.22 0.29 -0.09 0.00 0.00 0.00 179.25 179.67 3gh1 h ARG 311 N 0.00 0.60 0.00 0.00 9.65 -1.58 -1.55 114.38 121.50 3gh1 h ARG 311 Ca -0.00 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 3gh1 h ARG 311 Cb 0.43 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.88 3gh1 h ARG 311 CO 0.02 0.41 0.00 0.36 2.80 0.00 0.00 179.97 183.57 3gh1 n LYS 312 N -4.46 0.06 0.00 0.20 2.85 -1.20 -3.23 118.16 112.38 3gh1 n LYS 312 Ca 0.04 0.46 0.13 0.00 -1.05 0.00 0.00 58.31 57.88 3gh1 n LYS 312 Cb 0.07 -1.65 0.29 0.00 -0.65 0.00 0.00 35.03 33.09 3gh1 n LYS 312 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 3gh1 n HIS 313 N -1.76 0.00 -3.77 5.58 8.25 -0.58 -4.97 115.22 117.97 3gh1 n HIS 313 Ca 0.01 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 3gh1 n HIS 313 Cb 0.08 -0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.14 3gh1 n HIS 313 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 3gh1 s TYR 314 N -2.10 -0.06 0.22 4.41 -0.85 -1.20 -4.30 117.35 113.47 3gh1 s TYR 314 Ca 0.31 -0.29 0.02 0.00 -0.52 0.00 0.00 57.07 56.59 3gh1 s TYR 314 Cb 0.20 0.36 -0.05 0.00 0.38 0.00 0.00 41.96 42.85 3gh1 s TYR 314 CO 0.37 -0.91 0.03 -1.54 -1.52 0.00 0.00 175.55 171.97 3gh1 s SER 315 N -2.89 1.43 -0.12 -0.18 1.04 -0.57 -4.94 113.70 107.48 3gh1 s SER 315 Ca 0.10 -1.26 0.03 0.00 0.48 0.00 0.00 55.95 55.30 3gh1 s SER 315 Cb -0.01 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.21 3gh1 s SER 315 CO -0.02 -0.60 -0.23 -0.63 0.98 0.00 0.00 173.24 172.74 3gh1 s ILE 316 N -3.60 2.10 -0.23 -1.02 1.01 -1.26 -0.95 121.20 117.25 3gh1 s ILE 316 Ca 0.30 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 59.97 3gh1 s ILE 316 Cb 0.07 -1.82 0.06 0.00 0.01 0.00 0.00 42.46 40.77 3gh1 s ILE 316 CO 0.09 0.55 -0.05 0.00 0.00 0.00 0.00 174.94 175.53 3gh1 s ALA 317 N 0.56 1.93 -0.15 9.38 0.00 0.72 -4.96 121.76 129.24 3gh1 s ALA 317 Ca -0.13 -1.32 -0.07 0.00 0.00 0.00 0.00 51.96 50.44 3gh1 s ALA 317 Cb -0.17 -1.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 3gh1 s ALA 317 CO 0.04 -1.16 0.10 0.42 0.00 0.00 0.00 175.76 175.17 3gh1 s ILE 318 N 1.41 5.17 -1.39 0.00 -1.09 -1.26 -3.43 121.20 120.61 3gh1 s ILE 318 Ca -0.05 0.09 -0.06 0.00 -2.23 0.00 0.00 60.65 58.40 3gh1 s ILE 318 Cb -0.19 -3.28 0.03 0.00 -1.58 0.00 0.00 42.46 37.44 3gh1 s ILE 318 CO -0.06 0.55 0.85 -0.67 -1.23 0.00 0.00 174.94 174.38 3gh1 n ASP 319 N 2.66 -2.92 -2.93 3.58 2.03 0.41 -4.90 116.55 114.48 3gh1 n ASP 319 Ca -0.18 -0.78 -0.11 0.00 0.52 0.00 0.00 54.79 54.25 3gh1 n ASP 319 Cb 0.54 -4.11 -0.02 0.00 -0.72 0.00 0.00 41.12 36.80 3gh1 n ASP 319 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3gh1 n ASN 320 N -2.98 -2.57 -0.16 1.67 2.85 -1.26 -4.94 115.26 107.87 3gh1 n ASN 320 Ca -0.15 -2.79 0.08 0.00 -0.11 0.00 0.00 54.58 51.61 3gh1 n ASN 320 Cb 0.61 1.10 0.40 0.00 1.24 0.00 0.00 39.78 43.13 3gh1 n ASN 320 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3gh1 h PRO 321 N 5.08 0.63 0.00 1.20 0.11 -1.92 -1.94 132.00 135.16 3gh1 h PRO 321 Ca 0.10 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.08 3gh1 h PRO 321 Cb 1.05 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 3gh1 h PRO 321 CO 0.13 0.42 -0.44 0.00 -0.21 0.00 0.00 178.00 177.90 3gh1 h ALA 322 N 1.63 1.13 -0.01 -0.75 0.00 -1.94 -2.86 119.26 116.46 3gh1 h ALA 322 Ca 0.31 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3gh1 h ALA 322 Cb 0.37 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3gh1 h ALA 322 CO -0.10 0.55 0.00 1.49 0.00 0.00 0.00 179.25 181.19 3gh1 h GLU 323 N 0.00 0.02 -0.18 0.00 4.81 -1.78 -0.10 114.58 117.34 3gh1 h GLU 323 Ca -0.00 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.27 3gh1 h GLU 323 Cb 0.85 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.18 3gh1 h GLU 323 CO 0.06 0.30 -0.12 0.00 -0.73 0.00 0.00 179.01 178.51 3gh1 h ALA 324 N 0.72 0.02 -0.72 2.92 0.00 -1.50 -0.60 119.26 120.10 3gh1 h ALA 324 Ca 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3gh1 h ALA 324 Cb 0.29 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3gh1 h ALA 324 CO 0.00 -0.55 0.29 0.00 0.00 0.00 0.00 179.25 178.99 3gh1 h ALA 325 N 1.02 1.15 -0.25 0.00 0.00 -1.46 -2.77 119.26 116.94 3gh1 h ALA 325 Ca 0.11 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 3gh1 h ALA 325 Cb 0.28 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3gh1 h ALA 325 CO -0.26 0.61 -0.29 -0.09 0.00 0.00 0.00 179.25 179.23 3gh1 h ARG 326 N 1.05 0.50 -1.14 0.00 2.43 -0.70 0.38 114.38 116.90 3gh1 h ARG 326 Ca 0.24 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3gh1 h ARG 326 Cb 0.19 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3gh1 h ARG 326 CO -0.02 0.74 0.00 -0.89 -1.51 0.00 0.00 179.97 178.29 3gh1 n ILE 327 N -4.09 0.20 0.00 1.20 5.41 -0.26 -0.76 119.36 121.06 3gh1 n ILE 327 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.74 3gh1 n ILE 327 Cb 0.43 -0.47 0.00 0.00 -0.71 0.00 0.00 39.64 38.89 3gh1 n ILE 327 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 3gh1 n SER 329 N 0.63 0.00 0.26 4.38 2.88 0.12 -2.58 113.62 119.31 3gh1 n SER 329 Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 3gh1 n SER 329 Cb 0.14 0.00 0.69 0.00 -0.75 0.00 0.00 64.21 64.28 3gh1 n SER 329 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 3gh1 h ASN 330 N 0.00 0.00 -0.27 -3.46 -0.26 -1.20 -3.40 115.58 106.99 3gh1 h ASN 330 Ca 0.00 0.00 -0.69 0.00 -0.56 0.00 0.00 56.30 55.05 3gh1 h ASN 330 Cb 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.24 3gh1 h ASN 330 CO 0.00 0.14 3.39 0.00 -1.06 0.00 0.00 177.43 179.90 3gh1 n ALA 331 N -2.27 6.97 0.00 -0.83 0.00 -1.06 -4.54 120.51 118.78 3gh1 n ALA 331 Ca -0.01 -3.73 0.00 0.00 0.00 0.00 0.00 53.44 49.70 3gh1 n ALA 331 Cb 0.27 -3.28 0.00 0.00 0.00 0.00 0.00 19.45 16.44 3gh1 n ALA 331 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3gh1 n PRO 333 N 3.72 0.00 -0.03 0.00 -0.02 -1.26 -1.36 135.00 136.05 3gh1 n PRO 333 Ca 0.69 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 62.07 3gh1 n PRO 333 Cb 0.27 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.70 3gh1 n PRO 333 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3gh1 h LEU 334 N 0.00 0.20 -0.34 2.45 5.85 -1.96 -1.89 115.31 119.62 3gh1 h LEU 334 Ca 0.00 -0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.72 3gh1 h LEU 334 Cb 0.00 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 3gh1 h LEU 334 CO 0.00 0.21 -0.09 0.58 -0.34 0.00 0.00 178.44 178.80 3gh1 h VAL 335 N 0.17 0.66 -0.46 1.05 2.07 -1.58 -0.19 116.25 117.96 3gh1 h VAL 335 Ca 0.06 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.67 3gh1 h VAL 335 Cb 0.06 0.66 -0.09 0.00 -1.52 0.00 0.00 31.29 30.39 3gh1 h VAL 335 CO -0.01 0.00 -0.17 0.03 0.02 0.00 0.00 177.57 177.44 3gh1 h ARG 336 N -0.00 -0.06 -0.51 1.57 3.08 -1.81 -1.70 114.38 114.94 3gh1 h ARG 336 Ca 0.16 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.16 3gh1 h ARG 336 Cb 0.25 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 3gh1 h ARG 336 CO -0.35 -0.04 0.07 0.37 -1.07 0.00 0.00 179.97 178.95 3gh1 h GLN 337 N -0.06 0.85 -0.42 0.04 5.75 -0.92 -2.32 115.11 118.02 3gh1 h GLN 337 Ca 0.22 -0.23 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 3gh1 h GLN 337 Cb 0.41 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.84 3gh1 h GLN 337 CO -0.51 0.84 0.22 1.25 -2.65 0.00 0.00 178.83 177.98 3gh1 h HIS 338 N 0.72 0.60 -0.56 3.99 2.76 -0.83 0.88 115.15 122.71 3gh1 h HIS 338 Ca 0.15 -0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.36 3gh1 h HIS 338 Cb 0.41 -0.19 -0.05 0.00 1.55 0.00 0.00 27.41 29.13 3gh1 h HIS 338 CO 0.03 0.47 0.26 0.00 -1.30 0.00 0.00 177.93 177.39 3gh1 h ARG 339 N 0.55 0.48 -0.53 5.26 2.47 -1.22 -1.29 114.38 120.10 3gh1 h ARG 339 Ca 0.15 -0.03 -0.10 0.00 -1.26 0.00 0.00 59.98 58.74 3gh1 h ARG 339 Cb 0.08 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.28 3gh1 h ARG 339 CO -0.02 0.32 -0.06 0.87 0.56 0.00 0.00 179.97 181.64 3gh1 h LYS 340 N 0.49 0.94 -0.79 0.04 1.57 -1.08 0.26 116.57 118.01 3gh1 h LYS 340 Ca 0.26 -0.31 0.13 0.00 -1.87 0.00 0.00 60.65 58.86 3gh1 h LYS 340 Cb 0.22 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.40 3gh1 h LYS 340 CO -0.21 0.97 0.52 -0.44 -0.57 0.00 0.00 179.45 179.72 3gh1 h ASP 341 N 0.86 0.54 -0.25 0.86 3.32 -0.14 -2.13 116.42 119.47 3gh1 h ASP 341 Ca 0.15 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3gh1 h ASP 341 Cb 0.59 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.05 3gh1 h ASP 341 CO 0.04 0.30 0.00 0.29 -1.72 0.00 0.00 179.24 178.14 3gh1 n LYS 342 N -4.51 2.25 -3.96 3.56 4.76 -0.55 -4.94 118.16 114.77 3gh1 n LYS 342 Ca 0.14 -1.88 -0.28 0.00 -2.87 0.00 0.00 58.31 53.43 3gh1 n LYS 342 Cb 0.44 -1.48 -0.00 0.00 -1.84 0.00 0.00 35.03 32.15 3gh1 n LYS 342 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3gh1 n GLU 343 N 1.13 -4.00 -3.84 1.97 1.02 -0.56 -4.98 120.64 111.38 3gh1 n GLU 343 Ca 0.18 0.47 -0.25 0.00 -0.02 0.00 0.00 57.16 57.54 3gh1 n GLU 343 Cb 0.53 -4.96 -0.01 0.00 -0.02 0.00 0.00 31.44 26.98 3gh1 n GLU 343 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3gh1 s ASP 344 N -3.93 4.68 0.28 1.62 -1.08 0.81 -5.02 116.67 114.03 3gh1 s ASP 344 Ca 0.29 -1.15 -0.19 0.00 -0.52 0.00 0.00 52.55 50.98 3gh1 s ASP 344 Cb -0.15 0.18 -0.09 0.00 -1.46 0.00 0.00 42.92 41.40 3gh1 s ASP 344 CO 0.87 -0.99 0.77 0.00 0.52 0.00 0.00 175.17 176.34 3gh1 s ALA 345 N -2.71 3.33 0.22 3.66 0.00 -1.25 -4.54 121.76 120.47 3gh1 s ALA 345 Ca 0.37 0.18 -0.05 0.00 0.00 0.00 0.00 51.96 52.46 3gh1 s ALA 345 Cb -0.02 -2.87 0.20 0.00 0.00 0.00 0.00 23.12 20.44 3gh1 s ALA 345 CO 0.23 0.30 1.71 1.88 0.00 0.00 0.00 175.76 179.87 3gh1 h TYR 346 N 2.91 1.02 0.00 0.00 0.05 -1.89 -3.34 116.97 115.72 3gh1 h TYR 346 Ca -0.48 -0.15 0.00 0.00 0.05 0.00 0.00 58.73 58.15 3gh1 h TYR 346 Cb 1.19 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 38.65 3gh1 h TYR 346 CO 0.63 0.90 -0.82 0.43 -1.05 0.00 0.00 178.16 178.24 3gh1 n SER 347 N -4.20 0.65 -3.67 3.88 7.64 -1.26 -4.79 113.62 111.87 3gh1 n SER 347 Ca 0.03 -0.38 -0.13 0.00 1.01 0.00 0.00 58.87 59.41 3gh1 n SER 347 Cb 0.31 0.63 -0.13 0.00 -1.01 0.00 0.00 64.21 64.01 3gh1 n SER 347 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3gh1 s PHE 348 N -3.09 -0.43 -1.05 1.43 5.36 -1.25 -4.89 117.98 114.05 3gh1 s PHE 348 Ca 0.07 0.98 -0.18 0.00 -0.96 0.00 0.00 56.93 56.84 3gh1 s PHE 348 Cb 0.16 0.00 0.12 0.00 -0.34 0.00 0.00 43.02 42.96 3gh1 s PHE 348 CO 0.78 -0.34 1.32 1.21 -1.46 0.00 0.00 175.22 176.72 3gh1 s ASN 349 N 2.23 6.75 0.44 6.13 3.84 0.58 -3.91 114.94 131.00 3gh1 s ASN 349 Ca -0.01 -2.26 0.24 0.00 0.21 0.00 0.00 52.86 51.04 3gh1 s ASN 349 Cb -0.12 -2.44 0.92 0.00 -0.55 0.00 0.00 41.25 39.06 3gh1 s ASN 349 CO -0.09 -1.05 1.82 -0.50 -2.79 0.00 0.00 177.10 174.50 3gh1 h TRP 350 N 8.39 0.00 0.00 0.43 4.06 -1.88 -3.29 115.95 123.66 3gh1 h TRP 350 Ca 0.23 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.18 3gh1 h TRP 350 Cb 0.97 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.13 3gh1 h TRP 350 CO 1.19 0.22 -0.45 0.66 -3.56 0.00 0.00 178.44 176.50 3gh1 h SER 351 N 0.00 0.00 -2.07 -3.49 4.64 -1.95 -3.44 113.55 107.24 3gh1 h SER 351 Ca -0.00 -0.02 -0.62 0.00 -0.47 0.00 0.00 61.79 60.68 3gh1 h SER 351 Cb 0.75 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.88 3gh1 h SER 351 CO 0.03 0.01 0.82 -0.11 -0.87 0.00 0.00 176.83 176.71 3gh1 n LEU 352 N -2.77 2.90 -4.58 5.97 7.94 -1.24 -4.93 117.00 120.29 3gh1 n LEU 352 Ca 0.02 1.06 -0.41 0.00 -1.11 0.00 0.00 56.01 55.58 3gh1 n LEU 352 Cb 0.52 -1.36 -0.07 0.00 0.53 0.00 0.00 43.42 43.04 3gh1 n LEU 352 CO 0.36 -0.37 0.27 -0.75 -1.11 0.00 0.00 177.39 175.80 3gh1 s LYS 353 N 1.77 3.75 -0.25 1.96 2.47 -1.26 -5.02 119.74 123.16 3gh1 s LYS 353 Ca 0.84 0.02 0.01 0.00 -1.56 0.00 0.00 55.97 55.29 3gh1 s LYS 353 Cb -0.75 -3.77 0.05 0.00 -1.46 0.00 0.00 37.83 31.90 3gh1 s LYS 353 CO 0.44 -0.59 -0.10 0.42 0.16 0.00 0.00 175.35 175.68 3gh1 s ILE 354 N 2.45 2.39 0.66 5.43 1.01 -1.26 -4.94 121.20 126.95 3gh1 s ILE 354 Ca 0.21 -1.38 -0.16 0.00 0.00 0.00 0.00 60.65 59.32 3gh1 s ILE 354 Cb -0.15 -2.30 0.00 0.00 0.01 0.00 0.00 42.46 40.02 3gh1 s ILE 354 CO 0.13 0.10 1.15 -1.61 0.00 0.00 0.00 174.94 174.70 3gh1 s GLU 355 N 1.19 2.69 0.56 2.79 2.02 -1.26 -4.92 118.70 121.77 3gh1 s GLU 355 Ca -0.04 1.55 0.25 0.00 0.02 0.00 0.00 54.97 56.75 3gh1 s GLU 355 Cb -0.18 -1.92 1.62 0.00 0.10 0.00 0.00 34.13 33.75 3gh1 s GLU 355 CO -0.06 -1.37 2.21 -1.35 0.02 0.00 0.00 175.26 174.71 3gh1 h PRO 356 N 0.13 0.00 -0.04 0.39 0.11 -2.00 -0.26 132.00 130.34 3gh1 h PRO 356 Ca -0.48 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.64 3gh1 h PRO 356 Cb 1.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 3gh1 h PRO 356 CO 0.53 0.01 0.03 0.93 -0.21 0.00 0.00 178.00 179.29 3gh1 h GLU 357 N 0.00 0.00 0.00 1.05 4.39 -1.96 0.50 114.58 118.56 3gh1 h GLU 357 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3gh1 h GLU 357 Cb 0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 3gh1 h GLU 357 CO 0.00 0.00 -0.22 1.19 -1.16 0.00 0.00 179.01 178.82 3gh1 n PHE 358 N -4.44 0.23 -0.10 4.33 3.72 -0.11 -4.37 117.46 116.71 3gh1 n PHE 358 Ca -0.02 0.07 -0.11 0.00 -0.05 0.00 0.00 57.45 57.34 3gh1 n PHE 358 Cb 0.13 -0.53 -0.14 0.00 -0.94 0.00 0.00 39.48 38.00 3gh1 n PHE 358 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3gh1 n GLN 359 N -1.71 0.88 -1.65 -1.08 6.02 0.04 -4.95 117.38 114.94 3gh1 n GLN 359 Ca 0.06 0.02 -0.47 0.00 -0.01 0.00 0.00 57.00 56.60 3gh1 n GLN 359 Cb 0.37 -1.48 -0.05 0.00 1.02 0.00 0.00 30.24 30.10 3gh1 n GLN 359 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3gh1 n LEU 360 N -2.80 3.39 -4.77 1.08 7.94 -0.46 -4.84 117.00 116.54 3gh1 n LEU 360 Ca -0.33 0.82 -0.41 0.00 -1.11 0.00 0.00 56.01 54.98 3gh1 n LEU 360 Cb 1.07 -1.40 -0.02 0.00 0.53 0.00 0.00 43.42 43.60 3gh1 n LEU 360 CO 0.36 -0.16 0.99 -2.84 -1.11 0.00 0.00 177.39 174.63 3gh1 s PRO 361 N 4.63 4.34 -0.21 1.96 0.02 -1.26 -4.95 135.00 139.52 3gh1 s PRO 361 Ca 0.95 2.24 -0.08 0.00 0.02 0.00 0.00 61.00 64.13 3gh1 s PRO 361 Cb -0.64 -3.07 -0.04 0.00 0.02 0.00 0.00 34.50 30.78 3gh1 s PRO 361 CO 0.48 -0.22 0.09 0.12 -0.33 0.00 0.00 177.00 177.15 3gh1 s PHE 362 N -1.07 3.23 -0.41 6.54 5.36 -1.26 -5.06 117.98 125.31 3gh1 s PHE 362 Ca 0.50 0.01 -0.08 0.00 -0.96 0.00 0.00 56.93 56.40 3gh1 s PHE 362 Cb -0.40 -2.17 0.08 0.00 -0.34 0.00 0.00 43.02 40.19 3gh1 s PHE 362 CO 0.53 0.02 0.23 -1.21 -1.46 0.00 0.00 175.22 173.33 3gh1 s GLU 363 N 0.84 2.56 -0.12 10.12 2.02 -1.26 -5.06 118.70 127.80 3gh1 s GLU 363 Ca 0.05 -1.45 -0.29 0.00 0.02 0.00 0.00 54.97 53.29 3gh1 s GLU 363 Cb -0.13 -3.72 -0.03 0.00 0.10 0.00 0.00 34.13 30.34 3gh1 s GLU 363 CO 0.02 -0.93 1.47 -2.14 0.02 0.00 0.00 175.26 173.71 3gh1 s PRO 364 N 1.40 4.18 0.32 0.39 0.02 -1.26 -4.76 135.00 135.30 3gh1 s PRO 364 Ca 0.03 1.91 -0.05 0.00 0.02 0.00 0.00 61.00 62.91 3gh1 s PRO 364 Cb -0.23 -3.89 0.00 0.00 0.02 0.00 0.00 34.50 30.41 3gh1 s PRO 364 CO 0.02 -0.81 0.48 0.54 -0.33 0.00 0.00 177.00 176.90 3gh1 s ASN 365 N 2.77 0.64 0.22 2.53 2.20 -1.26 -4.84 114.94 117.19 3gh1 s ASN 365 Ca 0.65 -1.36 -0.09 0.00 -0.94 0.00 0.00 52.86 51.12 3gh1 s ASN 365 Cb -0.27 0.65 0.21 0.00 -2.00 0.00 0.00 41.25 39.83 3gh1 s ASN 365 CO 0.23 -1.28 1.87 0.45 -2.94 0.00 0.00 177.10 175.43 3gh1 h HIS 366 N 2.15 0.96 -0.09 1.54 3.86 -1.96 -2.74 115.15 118.88 3gh1 h HIS 366 Ca -0.28 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 58.93 3gh1 h HIS 366 Cb 1.24 -0.32 -0.00 0.00 1.06 0.00 0.00 27.41 29.39 3gh1 h HIS 366 CO 1.23 0.57 -0.03 1.49 0.86 0.00 0.00 177.93 182.06 3gh1 h GLU 367 N 1.01 0.17 -1.57 2.45 4.81 -1.97 -1.51 114.58 117.98 3gh1 h GLU 367 Ca 0.31 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 3gh1 h GLU 367 Cb -0.04 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.33 3gh1 h GLU 367 CO -0.09 0.51 0.00 -1.13 -0.73 0.00 0.00 179.01 177.56 3gh1 n SER 368 N -4.77 0.47 0.00 1.04 3.41 -1.03 -0.76 113.62 111.98 3gh1 n SER 368 Ca -0.07 -0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.20 3gh1 n SER 368 Cb 0.24 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 3gh1 n SER 368 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gh1 n ALA 370 N 0.84 0.00 0.76 7.33 0.00 -0.57 -2.84 120.51 126.02 3gh1 n ALA 370 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 3gh1 n ALA 370 Cb 0.08 0.00 0.50 0.00 0.00 0.00 0.00 19.45 20.03 3gh1 n ALA 370 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3gh1 n ASN 371 N 0.00 0.36 -4.76 0.00 3.02 0.06 -4.88 115.26 109.07 3gh1 n ASN 371 Ca 0.00 0.54 -0.41 0.00 -0.03 0.00 0.00 54.58 54.68 3gh1 n ASN 371 Cb 0.00 -0.64 -0.02 0.00 -0.61 0.00 0.00 39.78 38.52 3gh1 n ASN 371 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3gh1 s LEU 372 N -3.70 4.37 -0.64 3.41 1.43 -1.13 -4.95 118.68 117.48 3gh1 s LEU 372 Ca 0.11 2.81 -0.19 0.00 -1.03 0.00 0.00 54.13 55.83 3gh1 s LEU 372 Cb 0.15 -3.64 0.10 0.00 0.03 0.00 0.00 46.19 42.83 3gh1 s LEU 372 CO 0.52 -0.75 0.79 -0.62 0.23 0.00 0.00 176.35 176.52 3gh1 s ASP 373 N 0.12 6.24 -0.36 2.29 -1.08 -1.26 -4.84 116.67 117.78 3gh1 s ASP 373 Ca 0.57 -1.44 0.07 0.00 -0.52 0.00 0.00 52.55 51.22 3gh1 s ASP 373 Cb -0.44 -2.33 0.51 0.00 -1.46 0.00 0.00 42.92 39.21 3gh1 s ASP 373 CO 0.50 -1.16 1.55 0.18 0.52 0.00 0.00 175.17 176.76 3gh1 n LEU 374 N 6.53 4.97 -4.90 -1.34 4.77 -1.26 -4.78 117.00 120.99 3gh1 n LEU 374 Ca -0.05 -3.98 -0.29 0.00 -0.03 0.00 0.00 56.01 51.66 3gh1 n LEU 374 Cb 0.44 -0.66 -0.04 0.00 -2.33 0.00 0.00 43.42 40.83 3gh1 n LEU 374 CO 0.58 1.40 0.17 -1.00 -1.33 0.00 0.00 177.39 177.21 3gh1 s HIS 375 N -3.38 3.47 -0.96 -1.77 3.76 -1.26 -1.23 115.29 113.91 3gh1 s HIS 375 Ca 0.49 0.64 0.19 0.00 -0.15 0.00 0.00 55.06 56.24 3gh1 s HIS 375 Cb 0.43 -2.10 0.81 0.00 1.11 0.00 0.00 32.58 32.84 3gh1 s HIS 375 CO 0.01 0.23 1.61 1.28 -0.85 0.00 0.00 174.74 177.03 3gh1 n LEU 376 N -0.69 0.06 -3.32 0.89 4.32 -1.26 -4.28 117.00 112.71 3gh1 n LEU 376 Ca -0.02 0.51 -0.38 0.00 -0.02 0.00 0.00 56.01 56.10 3gh1 n LEU 376 Cb 0.53 -0.50 0.00 0.00 -1.62 0.00 0.00 43.42 41.83 3gh1 n LEU 376 CO 0.48 -0.20 1.88 0.59 -1.22 0.00 0.00 177.39 178.92 3gh1 n ASN 377 N -1.56 7.54 -4.12 -1.43 3.02 -1.26 -4.90 115.26 112.56 3gh1 n ASN 377 Ca 0.04 -3.40 -0.09 0.00 -0.03 0.00 0.00 54.58 51.10 3gh1 n ASN 377 Cb 0.23 -1.25 -0.10 0.00 -0.61 0.00 0.00 39.78 38.05 3gh1 n ASN 377 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3gh1 s GLN 378 N -2.59 0.90 0.32 3.52 -0.21 -1.26 -5.13 119.66 115.21 3gh1 s GLN 378 Ca 0.50 -1.37 -0.29 0.00 0.02 0.00 0.00 55.36 54.22 3gh1 s GLN 378 Cb 0.24 0.25 -0.12 0.00 1.00 0.00 0.00 33.01 34.38 3gh1 s GLN 378 CO -0.16 -0.25 1.39 0.54 -2.12 0.00 0.00 175.29 174.69 3gh1 n ARG 379 N -0.07 2.29 -0.17 2.91 1.74 -1.26 -4.83 116.66 117.26 3gh1 n ARG 379 Ca -0.07 0.81 0.23 0.00 -0.77 0.00 0.00 57.85 58.04 3gh1 n ARG 379 Cb 0.63 -2.46 0.63 0.00 -1.02 0.00 0.00 32.46 30.24 3gh1 n ARG 379 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3gh1 h PRO 380 N 3.30 0.17 -0.56 5.56 0.11 -1.94 -0.38 132.00 138.26 3gh1 h PRO 380 Ca -0.47 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 3gh1 h PRO 380 Cb 1.27 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 3gh1 h PRO 380 CO 0.68 0.11 0.02 0.93 -0.21 0.00 0.00 178.00 179.53 3gh1 h GLU 381 N 0.17 0.94 0.00 1.05 3.07 -1.90 0.90 114.58 118.82 3gh1 h GLU 381 Ca 0.41 -0.27 -0.27 0.00 -0.50 0.00 0.00 59.36 58.74 3gh1 h GLU 381 Cb 1.34 -0.10 0.02 0.00 -0.84 0.00 0.00 28.75 29.17 3gh1 h GLU 381 CO -0.08 0.92 -1.05 0.28 -1.40 0.00 0.00 179.01 177.69 3gh1 h VAL 382 N 0.87 1.29 -0.95 3.13 2.07 -1.44 -1.85 116.25 119.37 3gh1 h VAL 382 Ca 0.17 -2.27 0.05 0.00 0.82 0.00 0.00 66.70 65.46 3gh1 h VAL 382 Cb 0.48 2.39 -0.06 0.00 -1.52 0.00 0.00 31.29 32.59 3gh1 h VAL 382 CO 0.02 0.70 0.61 0.25 0.02 0.00 0.00 177.57 179.17 3gh1 h LEU 383 N 0.38 1.00 -0.71 2.57 5.85 -1.26 -1.99 115.31 121.15 3gh1 h LEU 383 Ca -0.13 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.61 3gh1 h LEU 383 Cb 1.70 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 42.47 3gh1 h LEU 383 CO 0.20 0.67 0.46 0.00 -0.34 0.00 0.00 178.44 179.44 3gh1 h ALA 384 N 1.40 0.92 -0.43 1.25 0.00 -0.61 0.15 119.26 121.95 3gh1 h ALA 384 Ca 0.39 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 3gh1 h ALA 384 Cb 0.06 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3gh1 h ALA 384 CO -0.14 0.27 0.22 0.00 0.00 0.00 0.00 179.25 179.60 3gh1 h ALA 385 N 1.29 1.57 0.08 0.00 0.00 -0.67 0.21 119.26 121.73 3gh1 h ALA 385 Ca 0.28 -0.09 -0.28 0.00 0.00 0.00 0.00 54.91 54.82 3gh1 h ALA 385 Cb -0.04 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 17.60 3gh1 h ALA 385 CO -0.09 0.35 -1.17 -0.91 0.00 0.00 0.00 179.25 177.44 3gh1 h ASN 386 N 0.60 0.84 -0.43 0.00 2.35 -0.97 -2.67 115.58 115.30 3gh1 h ASN 386 Ca 0.15 -0.74 -0.08 0.00 -0.55 0.00 0.00 56.30 55.08 3gh1 h ASN 386 Cb 0.05 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 3gh1 h ASN 386 CO -0.02 1.55 -0.01 -0.07 -1.65 0.00 0.00 177.43 177.23 3gh1 h LEU 387 N 0.30 0.81 -0.25 1.61 3.38 -0.59 -0.86 115.31 119.71 3gh1 h LEU 387 Ca -0.16 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 57.66 3gh1 h LEU 387 Cb 1.83 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 42.31 3gh1 h LEU 387 CO 0.22 0.88 -0.15 -0.09 0.09 0.00 0.00 178.44 179.39 3gh1 h ARG 388 N 0.78 -0.12 -0.81 1.13 1.12 -0.56 -1.59 114.38 114.32 3gh1 h ARG 388 Ca 0.15 0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.03 3gh1 h ARG 388 Cb 0.48 0.03 -0.04 0.00 -0.01 0.00 0.00 29.97 30.43 3gh1 h ARG 388 CO 0.02 -0.08 0.52 0.00 -3.11 0.00 0.00 179.97 177.32 3gh1 h ARG 389 N -0.13 1.08 -0.14 0.20 3.08 -1.16 -0.11 114.38 117.20 3gh1 h ARG 389 Ca 0.14 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.13 3gh1 h ARG 389 Cb 0.34 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 3gh1 h ARG 389 CO -0.33 0.73 0.02 0.00 -1.07 0.00 0.00 179.97 179.31 3gh1 h ALA 390 N 1.29 0.13 -0.72 0.04 0.00 -0.59 -0.53 119.26 118.88 3gh1 h ALA 390 Ca 0.30 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 3gh1 h ALA 390 Cb -0.10 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3gh1 h ALA 390 CO -0.06 -0.43 0.25 0.74 0.00 0.00 0.00 179.25 179.75 3gh1 h PHE 391 N 0.07 1.11 -0.75 0.00 0.04 -1.16 -1.82 116.94 114.43 3gh1 h PHE 391 Ca 0.06 -0.09 0.09 0.00 2.80 0.00 0.00 57.97 60.83 3gh1 h PHE 391 Cb 0.07 -0.33 -0.05 0.00 2.20 0.00 0.00 35.95 37.84 3gh1 h PHE 391 CO -0.13 0.87 0.49 1.03 -0.60 0.00 0.00 178.31 179.96 3gh1 h SER 392 N 1.06 0.61 -0.35 2.17 0.87 -0.48 -2.15 113.55 115.26 3gh1 h SER 392 Ca 0.24 0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.67 3gh1 h SER 392 Cb 0.25 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 3gh1 h SER 392 CO -0.01 0.37 -0.34 1.23 -0.53 0.00 0.00 176.83 177.54 3gh1 h GLY 393 N 0.67 0.93 0.89 5.77 0.00 -0.32 -1.41 103.07 109.61 3gh1 h GLY 393 Ca 0.34 -0.94 0.02 0.00 0.00 0.00 0.00 47.33 46.75 3gh1 h GLY 393 CO -0.12 0.85 0.32 -2.08 0.00 0.00 0.00 176.54 175.51 3gh1 h VAL 394 N 0.64 1.07 -0.03 4.60 2.07 -1.03 0.07 116.25 123.64 3gh1 h VAL 394 Ca 0.06 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 67.39 3gh1 h VAL 394 Cb 0.92 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 3gh1 h VAL 394 CO 0.08 0.12 -0.17 0.58 0.02 0.00 0.00 177.57 178.20 3gh1 h VAL 395 N 0.63 0.59 -0.42 2.57 2.07 -1.36 -1.54 116.25 118.78 3gh1 h VAL 395 Ca 0.21 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.73 3gh1 h VAL 395 Cb 0.01 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 3gh1 h VAL 395 CO -0.09 0.00 0.28 0.00 0.02 0.00 0.00 177.57 177.78 3gh1 h ALA 396 N 0.69 0.54 0.00 1.67 0.00 -1.04 0.83 119.26 121.94 3gh1 h ALA 396 Ca 0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3gh1 h ALA 396 Cb 0.34 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3gh1 h ALA 396 CO -0.18 -0.02 -0.04 0.78 0.00 0.00 0.00 179.25 179.79 3gh1 h GLY 397 N 0.57 0.00 0.58 0.00 0.00 -0.72 -1.80 103.07 101.70 3gh1 h GLY 397 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.13 3gh1 h GLY 397 CO -0.04 0.00 -1.92 3.43 0.00 0.00 0.00 176.54 178.01 3gh1 h ASN 398 N 0.00 0.40 0.00 0.19 2.35 -0.05 -3.33 115.58 115.14 3gh1 h ASN 398 Ca -0.00 -0.92 0.00 0.00 -0.55 0.00 0.00 56.30 54.83 3gh1 h ASN 398 Cb 0.10 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.34 3gh1 h ASN 398 CO 0.01 1.83 -0.59 1.33 -1.65 0.00 0.00 177.43 178.36 3gh1 n VAL 399 N -3.57 0.00 -2.79 2.81 0.24 0.12 -4.88 118.33 110.25 3gh1 n VAL 399 Ca -0.31 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.58 3gh1 n VAL 399 Cb 1.02 0.20 -0.05 0.00 -1.47 0.00 0.00 33.84 33.54 3gh1 n VAL 399 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3gh1 s LYS 400 N -1.22 4.72 0.20 7.34 3.01 -0.69 -4.67 119.74 128.43 3gh1 s LYS 400 Ca 0.00 1.39 -0.14 0.00 -1.01 0.00 0.00 55.97 56.21 3gh1 s LYS 400 Cb 0.00 -3.33 0.20 0.00 -1.01 0.00 0.00 37.83 33.69 3gh1 s LYS 400 CO 0.00 0.37 1.65 0.00 0.51 0.00 0.00 175.35 177.87 3gh1 h ALA 401 N 4.95 0.40 -0.09 5.17 0.00 -1.86 -0.51 119.26 127.32 3gh1 h ALA 401 Ca -0.44 0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 3gh1 h ALA 401 Cb 1.21 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 3gh1 h ALA 401 CO 0.70 -0.43 -0.43 1.05 0.00 0.00 0.00 179.25 180.14 3gh1 h GLU 402 N 0.02 0.20 0.15 0.00 9.09 -1.93 -2.18 114.58 119.94 3gh1 h GLU 402 Ca 0.27 -0.10 -0.30 0.00 0.05 0.00 0.00 59.36 59.28 3gh1 h GLU 402 Cb 0.42 -0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.55 3gh1 h GLU 402 CO -0.55 0.60 -1.28 0.78 0.05 0.00 0.00 179.01 178.61 3gh1 h GLY 403 N 1.26 0.67 1.45 1.06 0.00 -1.60 -2.14 103.07 103.78 3gh1 h GLY 403 Ca 0.01 -1.48 -0.03 0.00 0.00 0.00 0.00 47.33 45.84 3gh1 h GLY 403 CO 0.06 1.30 0.18 -2.22 0.00 0.00 0.00 176.54 175.87 3gh1 h ILE 404 N 0.21 1.19 -0.30 2.60 2.04 -1.08 -1.99 117.51 120.19 3gh1 h ILE 404 Ca -0.20 -0.60 -0.18 0.00 1.00 0.00 0.00 64.86 64.88 3gh1 h ILE 404 Cb 1.96 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 38.66 3gh1 h ILE 404 CO 0.24 0.23 -0.51 -0.09 0.00 0.00 0.00 178.15 178.03 3gh1 h ARG 405 N 0.70 0.88 -0.53 2.37 2.43 -1.36 -1.31 114.38 117.56 3gh1 h ARG 405 Ca 0.17 -0.54 0.08 0.00 -0.81 0.00 0.00 59.98 58.88 3gh1 h ARG 405 Cb 0.16 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.70 3gh1 h ARG 405 CO -0.01 1.18 0.17 0.93 -1.51 0.00 0.00 179.97 180.72 3gh1 h GLU 406 N 0.67 0.32 -0.21 0.20 4.39 -1.08 -1.16 114.58 117.70 3gh1 h GLU 406 Ca 0.02 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.63 3gh1 h GLU 406 Cb 1.12 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.68 3gh1 h GLU 406 CO 0.12 0.21 -0.20 0.82 -1.16 0.00 0.00 179.01 178.80 3gh1 h ILE 407 N 0.33 1.24 -0.51 3.13 1.08 -1.14 -1.50 117.51 120.15 3gh1 h ILE 407 Ca 0.26 -1.09 -0.06 0.00 -0.39 0.00 0.00 64.86 63.58 3gh1 h ILE 407 Cb 0.32 1.30 -0.02 0.00 -3.07 0.00 0.00 36.82 35.35 3gh1 h ILE 407 CO -0.29 0.34 0.06 -0.33 -0.69 0.00 0.00 178.15 177.25 3gh1 h GLU 408 N 0.34 0.85 -0.20 2.37 5.08 -0.80 0.15 114.58 122.37 3gh1 h GLU 408 Ca 0.06 -0.24 -0.17 0.00 -1.00 0.00 0.00 59.36 58.01 3gh1 h GLU 408 Cb 0.55 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 3gh1 h GLU 408 CO 0.04 0.85 -0.56 0.00 -1.00 0.00 0.00 179.01 178.34 3gh1 h ARG 409 N 0.72 0.62 0.00 2.33 3.08 -0.87 -3.38 114.38 116.88 3gh1 h ARG 409 Ca 0.15 -0.40 0.00 0.00 0.07 0.00 0.00 59.98 59.80 3gh1 h ARG 409 Cb 0.42 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3gh1 h ARG 409 CO 0.01 1.01 0.00 0.72 -1.07 0.00 0.00 179.97 180.65 3gh1 n HIS 410 N -3.96 0.00 -3.37 3.04 8.25 -0.59 -5.11 115.22 113.48 3gh1 n HIS 410 Ca -0.04 -0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 3gh1 n HIS 410 Cb 0.62 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.72 3gh1 n HIS 410 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gh1 n GLY 411 N -0.06 -1.93 3.77 -1.41 0.00 0.53 -4.95 105.19 101.15 3gh1 n GLY 411 Ca 0.00 -1.50 -0.34 0.00 0.00 0.00 0.00 46.02 44.17 3gh1 n GLY 411 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3gh1 s PRO 412 N 0.00 3.12 0.22 1.61 0.02 -1.26 -4.27 135.00 134.43 3gh1 s PRO 412 Ca 0.00 1.53 -0.30 0.00 0.02 0.00 0.00 61.00 62.25 3gh1 s PRO 412 Cb 0.00 -1.98 -0.09 0.00 0.02 0.00 0.00 34.50 32.45 3gh1 s PRO 412 CO 0.00 -1.02 1.38 -0.06 -0.33 0.00 0.00 177.00 176.97 3gh1 s PHE 413 N -1.99 3.14 0.49 6.54 2.99 0.16 -4.78 117.98 124.54 3gh1 s PHE 413 Ca 0.71 1.10 0.07 0.00 0.00 0.00 0.00 56.93 58.81 3gh1 s PHE 413 Cb -0.23 -3.72 0.02 0.00 0.00 0.00 0.00 43.02 39.09 3gh1 s PHE 413 CO 0.33 -2.31 0.45 -1.21 -0.00 0.00 0.00 175.22 172.48 3gh1 s GLU 414 N -0.14 2.40 0.00 0.44 2.02 -1.26 -0.73 118.70 121.43 3gh1 s GLU 414 Ca 0.59 -1.73 0.00 0.00 0.02 0.00 0.00 54.97 53.85 3gh1 s GLU 414 Cb -0.39 -2.32 0.00 0.00 0.10 0.00 0.00 34.13 31.52 3gh1 s GLU 414 CO 0.40 -0.45 0.00 -2.39 0.02 0.00 0.00 175.26 172.83 3gh1 n HIS 416 N -1.74 0.00 -3.40 1.61 1.44 -1.26 -3.52 115.22 108.35 3gh1 n HIS 416 Ca 0.04 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.75 3gh1 n HIS 416 Cb 0.63 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.74 3gh1 n HIS 416 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3gh1 n GLY 417 N -0.42 -0.68 3.66 -1.39 0.00 -1.26 -4.20 105.19 100.90 3gh1 n GLY 417 Ca 0.00 -0.83 -0.47 0.00 0.00 0.00 0.00 46.02 44.72 3gh1 n GLY 417 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3gh1 n ASP 418 N 0.23 3.02 -0.04 1.61 2.03 -0.37 -4.83 116.55 118.20 3gh1 n ASP 418 Ca 0.00 1.07 0.07 0.00 0.52 0.00 0.00 54.79 56.45 3gh1 n ASP 418 Cb 0.00 -1.40 0.44 0.00 -0.72 0.00 0.00 41.12 39.44 3gh1 n ASP 418 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3gh1 h PRO 419 N 6.23 0.51 -0.07 -0.67 0.11 -2.00 -2.81 132.00 133.30 3gh1 h PRO 419 Ca -0.46 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 3gh1 h PRO 419 Cb 1.26 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3gh1 h PRO 419 CO 0.89 0.34 0.00 0.28 -0.21 0.00 0.00 178.00 179.30 3gh1 h VAL 420 N 0.52 1.24 0.00 3.15 2.07 -1.99 -1.58 116.25 119.67 3gh1 h VAL 420 Ca 0.21 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.97 3gh1 h VAL 420 Cb 0.17 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 3gh1 h VAL 420 CO -0.05 0.21 0.00 -0.11 0.02 0.00 0.00 177.57 177.64 3gh1 n LEU 421 N -4.86 0.00 0.00 2.57 7.94 -1.06 -1.89 117.00 119.70 3gh1 n LEU 421 Ca -0.07 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.83 3gh1 n LEU 421 Cb 0.19 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.14 3gh1 n LEU 421 CO 0.35 0.00 0.00 1.17 -1.11 0.00 0.00 177.39 177.80 3gh1 n LYS 423 N 0.66 0.00 0.00 1.96 4.81 -0.60 -4.54 118.16 120.46 3gh1 n LYS 423 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3gh1 n LYS 423 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3gh1 n LYS 423 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3gh1 n LYS 424 N 0.00 0.45 0.00 1.64 5.02 -0.79 -1.58 118.16 122.89 3gh1 n LYS 424 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3gh1 n LYS 424 Cb 0.00 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 3gh1 n LYS 424 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3gh1 n ASP 426 N 0.61 0.00 -0.08 4.39 2.03 -1.26 -1.49 116.55 120.75 3gh1 n ASP 426 Ca 0.00 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.17 3gh1 n ASP 426 Cb 0.19 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.54 3gh1 n ASP 426 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 3gh1 h GLN 427 N 0.00 0.71 0.14 -0.67 5.75 -1.69 -0.90 115.11 118.45 3gh1 h GLN 427 Ca 0.00 -0.43 0.01 0.00 -0.15 0.00 0.00 58.65 58.08 3gh1 h GLN 427 Cb 0.00 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 3gh1 h GLN 427 CO 0.00 1.05 -0.17 1.25 -2.65 0.00 0.00 178.83 178.31 3gh1 h LEU 428 N 0.44 -0.46 -0.80 -2.39 5.85 -1.53 0.11 115.31 116.51 3gh1 h LEU 428 Ca 0.02 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.81 3gh1 h LEU 428 Cb 0.99 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.15 3gh1 h LEU 428 CO 0.09 -0.25 0.52 -0.07 -0.34 0.00 0.00 178.44 178.39 3gh1 h LEU 429 N -0.35 0.88 -1.24 2.25 3.38 -1.81 -1.36 115.31 117.06 3gh1 h LEU 429 Ca 0.01 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3gh1 h LEU 429 Cb 0.35 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 3gh1 h LEU 429 CO -0.07 0.62 0.52 0.78 0.09 0.00 0.00 178.44 180.38 3gh1 h ASN 430 N 1.03 0.89 -0.62 -0.43 2.35 -0.88 -1.90 115.58 116.01 3gh1 h ASN 430 Ca 0.31 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 56.02 3gh1 h ASN 430 Cb -0.04 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.08 3gh1 h ASN 430 CO -0.10 0.64 0.29 0.44 -1.65 0.00 0.00 177.43 177.06 3gh1 h ASP 431 N 1.05 0.82 -0.96 5.81 3.32 -0.24 -0.37 116.42 125.86 3gh1 h ASP 431 Ca 0.29 -0.14 0.08 0.00 0.02 0.00 0.00 57.03 57.28 3gh1 h ASP 431 Cb -0.10 -0.21 -0.07 0.00 0.22 0.00 0.00 39.33 39.17 3gh1 h ASP 431 CO -0.07 0.73 0.62 -0.26 -1.72 0.00 0.00 179.24 178.54 3gh1 h PHE 432 N 0.86 1.10 0.05 4.55 0.04 -0.92 0.13 116.94 122.75 3gh1 h PHE 432 Ca 0.21 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 61.01 3gh1 h PHE 432 Cb 0.13 -0.36 0.00 0.00 2.20 0.00 0.00 35.95 37.92 3gh1 h PHE 432 CO 0.00 0.53 -0.02 0.28 -0.60 0.00 0.00 178.31 178.50 3gh1 h VAL 433 N 1.04 1.28 -0.52 -0.55 2.07 -0.90 0.39 116.25 119.06 3gh1 h VAL 433 Ca 0.43 -1.25 0.10 0.00 0.82 0.00 0.00 66.70 66.80 3gh1 h VAL 433 Cb 0.29 2.09 -0.03 0.00 -1.52 0.00 0.00 31.29 32.12 3gh1 h VAL 433 CO -0.18 0.31 0.36 0.00 0.02 0.00 0.00 177.57 178.07 3gh1 h ALA 434 N 0.24 2.12 -0.29 1.67 0.00 -0.74 -1.27 119.26 121.00 3gh1 h ALA 434 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3gh1 h ALA 434 Cb 0.56 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3gh1 h ALA 434 CO 0.01 -0.24 0.00 1.04 0.00 0.00 0.00 179.25 180.06 3gh1 n GLN 435 N -4.46 1.93 -3.65 0.00 6.02 0.42 -4.92 117.38 112.72 3gh1 n GLN 435 Ca 0.08 -1.15 -0.27 0.00 -0.01 0.00 0.00 57.00 55.65 3gh1 n GLN 435 Cb 0.39 -1.38 0.02 0.00 1.02 0.00 0.00 30.24 30.30 3gh1 n GLN 435 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3gh1 n ASN 436 N 0.37 -4.74 -2.40 1.08 5.03 -0.48 -4.93 115.26 109.19 3gh1 n ASN 436 Ca 0.11 -0.61 -0.26 0.00 0.87 0.00 0.00 54.58 54.69 3gh1 n ASN 436 Cb 0.35 -3.82 -0.03 0.00 -1.02 0.00 0.00 39.78 35.26 3gh1 n ASN 436 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3gh1 n ARG 437 N -4.35 2.32 -1.21 3.52 1.74 0.11 -4.74 116.66 114.05 3gh1 n ARG 437 Ca 0.01 -2.30 -0.47 0.00 -0.77 0.00 0.00 57.85 54.32 3gh1 n ARG 437 Cb 0.54 -2.06 -0.06 0.00 -1.02 0.00 0.00 32.46 29.86 3gh1 n ARG 437 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3gh1 n LYS 439 N 0.65 0.00 -1.64 5.56 5.02 -1.26 -4.51 118.16 121.99 3gh1 n LYS 439 Ca 0.46 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 56.36 3gh1 n LYS 439 Cb 0.54 -1.18 0.03 0.00 -0.02 0.00 0.00 35.03 34.40 3gh1 n LYS 439 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3gh1 n LEU 440 N 1.25 3.42 -4.65 -0.35 4.77 -1.26 -4.94 117.00 115.24 3gh1 n LEU 440 Ca 0.16 0.96 -0.41 0.00 -0.03 0.00 0.00 56.01 56.69 3gh1 n LEU 440 Cb 0.08 -1.41 0.02 0.00 -2.33 0.00 0.00 43.42 39.78 3gh1 n LEU 440 CO 0.49 -1.43 0.70 -2.65 -1.33 0.00 0.00 177.39 173.17 3gh1 n PRO 441 N -0.36 1.52 -1.10 3.23 -0.02 -1.26 -4.33 135.00 132.69 3gh1 n PRO 441 Ca 0.10 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3gh1 n PRO 441 Cb 0.43 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 3gh1 n PRO 441 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gh1 n GLY 442 N 1.05 0.78 0.00 -1.23 0.00 -1.26 -5.08 105.19 99.44 3gh1 n GLY 442 Ca 0.09 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3gh1 n GLY 442 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gh1 n GLY 443 N -0.34 4.51 4.01 -0.02 0.00 -1.26 -5.14 105.19 106.95 3gh1 n GLY 443 Ca 0.00 -1.48 -0.18 0.00 0.00 0.00 0.00 46.02 44.36 3gh1 n GLY 443 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gh1 s SER 444 N 0.73 5.50 0.39 1.61 0.01 -1.26 -5.07 113.70 115.61 3gh1 s SER 444 Ca 0.00 -0.40 -0.23 0.00 1.31 0.00 0.00 55.95 56.63 3gh1 s SER 444 Cb 0.00 -0.57 -0.14 0.00 0.21 0.00 0.00 66.02 65.53 3gh1 s SER 444 CO 0.00 -0.92 0.46 0.00 0.41 0.00 0.00 173.24 173.19 3gh1 n ALA 445 N -2.00 -1.93 -2.33 1.44 0.00 -1.26 -4.89 120.51 109.54 3gh1 n ALA 445 Ca 0.09 0.19 -0.42 0.00 0.00 0.00 0.00 53.44 53.30 3gh1 n ALA 445 Cb 0.59 -1.70 -0.03 0.00 0.00 0.00 0.00 19.45 18.32 3gh1 n ALA 445 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3gh1 s TYR 446 N -1.45 3.36 -0.24 0.00 6.14 -1.26 -5.02 117.35 118.87 3gh1 s TYR 446 Ca 0.62 1.17 -0.07 0.00 0.64 0.00 0.00 57.07 59.43 3gh1 s TYR 446 Cb -0.65 -3.51 -0.03 0.00 0.42 0.00 0.00 41.96 38.19 3gh1 s TYR 446 CO 0.59 -1.67 0.07 -1.83 0.64 0.00 0.00 175.55 173.35 3gh1 s GLU 447 N 1.11 3.70 0.51 4.97 -1.05 -1.26 -5.09 118.70 121.59 3gh1 s GLU 447 Ca 0.61 -0.46 -0.23 0.00 -0.15 0.00 0.00 54.97 54.74 3gh1 s GLU 447 Cb -0.32 -3.32 -0.06 0.00 -0.44 0.00 0.00 34.13 29.99 3gh1 s GLU 447 CO 0.29 -0.14 1.40 -2.14 0.95 0.00 0.00 175.26 175.62 3gh1 s PRO 448 N 1.48 3.34 -0.14 -4.83 0.02 -1.26 -4.87 135.00 128.74 3gh1 s PRO 448 Ca 0.06 2.33 0.17 0.00 0.02 0.00 0.00 61.00 63.58 3gh1 s PRO 448 Cb -0.15 -2.41 0.74 0.00 0.02 0.00 0.00 34.50 32.70 3gh1 s PRO 448 CO 0.04 -1.07 1.65 0.00 -0.33 0.00 0.00 177.00 177.29 3gh1 s TYR 450 N -2.04 0.33 -0.15 0.00 1.13 -1.26 -0.66 117.35 114.69 3gh1 s TYR 450 Ca 0.52 -0.76 -0.07 0.00 -1.41 0.00 0.00 57.07 55.35 3gh1 s TYR 450 Cb 0.35 -0.23 0.06 0.00 -1.10 0.00 0.00 41.96 41.04 3gh1 s TYR 450 CO 0.23 -0.40 0.33 0.21 -2.51 0.00 0.00 175.55 173.41 3gh1 s LYS 451 N -3.33 0.27 -0.18 -3.49 2.20 0.09 -4.82 119.74 110.48 3gh1 s LYS 451 Ca 0.01 0.77 -0.16 0.00 -0.36 0.00 0.00 55.97 56.23 3gh1 s LYS 451 Cb 0.03 0.02 -0.04 0.00 -1.51 0.00 0.00 37.83 36.33 3gh1 s LYS 451 CO -0.08 -0.21 0.39 0.42 -0.36 0.00 0.00 175.35 175.51 3gh1 s ILE 452 N 1.87 5.22 0.15 5.43 1.01 -1.26 -4.15 121.20 129.46 3gh1 s ILE 452 Ca -0.05 0.73 0.06 0.00 0.00 0.00 0.00 60.65 61.38 3gh1 s ILE 452 Cb -0.11 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 3gh1 s ILE 452 CO -0.11 0.30 -0.13 0.68 0.00 0.00 0.00 174.94 175.68 3gh1 s VAL 453 N 0.99 1.37 0.30 2.92 -7.23 -1.26 -5.03 120.40 112.45 3gh1 s VAL 453 Ca 0.20 -1.97 -0.24 0.00 -1.81 0.00 0.00 61.98 58.16 3gh1 s VAL 453 Cb -0.14 -1.78 -0.09 0.00 0.56 0.00 0.00 36.38 34.92 3gh1 s VAL 453 CO 0.07 -0.59 0.88 0.42 -0.31 0.00 0.00 175.10 175.57 3gh1 s THR 454 N -2.81 4.34 0.13 5.32 -4.23 -1.26 -4.04 115.64 113.09 3gh1 s THR 454 Ca 0.15 1.62 -0.30 0.00 -1.18 0.00 0.00 61.69 61.98 3gh1 s THR 454 Cb -0.01 -3.93 -0.07 0.00 1.34 0.00 0.00 72.50 69.83 3gh1 s THR 454 CO 0.03 0.12 1.24 -1.83 -0.54 0.00 0.00 174.62 173.64 3gh1 s GLU 455 N -2.13 4.43 0.00 3.99 -1.05 -1.26 -5.01 118.70 117.67 3gh1 s GLU 455 Ca 0.49 1.89 0.00 0.00 -0.15 0.00 0.00 54.97 57.20 3gh1 s GLU 455 Cb -0.17 -3.27 0.00 0.00 -0.44 0.00 0.00 34.13 30.25 3gh1 s GLU 455 CO 0.22 -0.22 0.00 0.41 0.95 0.00 0.00 175.26 176.62 3gh1 n GLY 456 N 2.77 -1.13 3.00 -3.83 0.00 -1.26 -5.14 105.19 99.60 3gh1 n GLY 456 Ca 0.07 -1.65 -0.12 0.00 0.00 0.00 0.00 46.02 44.32 3gh1 n GLY 456 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gh1 s HIS 459 N -0.85 -0.08 0.69 1.61 3.76 -1.26 -5.26 115.29 113.90 3gh1 s HIS 459 Ca 0.00 0.20 -0.10 0.00 -0.15 0.00 0.00 55.06 55.01 3gh1 s HIS 459 Cb 0.00 0.02 0.02 0.00 1.11 0.00 0.00 32.58 33.73 3gh1 s HIS 459 CO 0.00 -0.09 1.05 -3.38 -0.85 0.00 0.00 174.74 171.47 3gh1 s HIS 460 N -0.20 3.26 0.14 1.40 -3.43 -1.26 -5.01 115.29 110.19 3gh1 s HIS 460 Ca -0.03 0.90 -0.12 0.00 -0.80 0.00 0.00 55.06 55.01 3gh1 s HIS 460 Cb -0.02 -3.03 -0.01 0.00 -1.43 0.00 0.00 32.58 28.09 3gh1 s HIS 460 CO 0.00 -1.15 1.54 0.45 -2.00 0.00 0.00 174.74 173.58 3gh1 h HIS 461 N -0.57 0.98 0.00 0.38 3.86 -2.16 -3.61 115.15 114.03 3gh1 h HIS 461 Ca -0.45 -0.22 0.00 0.00 -1.16 0.00 0.00 60.37 58.54 3gh1 h HIS 461 Cb 1.26 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 29.50 3gh1 h HIS 461 CO 0.47 0.99 0.00 -2.39 0.86 0.00 0.00 177.93 177.86