#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g5m s GLY 2 N 0.00 1.29 0.04 0.00 0.00 -1.26 -3.74 107.32 103.64 3g5m s GLY 2 Ca 0.00 -2.74 -0.04 0.00 0.00 0.00 0.00 44.72 41.94 3g5m s GLY 2 CO 0.00 2.92 0.06 0.54 0.00 0.00 0.00 173.10 176.63 3g5m s LYS 3 N 4.76 0.55 -0.08 2.90 -0.14 -1.26 -5.05 119.74 121.42 3g5m s LYS 3 Ca 0.57 -0.78 0.02 0.00 -1.36 0.00 0.00 55.97 54.42 3g5m s LYS 3 Cb 0.03 0.21 -0.02 0.00 -1.68 0.00 0.00 37.83 36.36 3g5m s LYS 3 CO 0.09 -0.13 -0.12 0.15 -0.76 0.00 0.00 175.35 174.59 3g5m s LYS 4 N -2.56 2.83 -0.06 1.68 1.02 -1.26 -1.13 119.74 120.26 3g5m s LYS 4 Ca -0.05 -0.65 0.05 0.00 0.02 0.00 0.00 55.97 55.34 3g5m s LYS 4 Cb -0.02 -2.52 -0.00 0.00 -0.52 0.00 0.00 37.83 34.77 3g5m s LYS 4 CO -0.04 0.52 -0.21 0.08 -0.92 0.00 0.00 175.35 174.77 3g5m s VAL 5 N -0.44 1.75 -0.16 3.17 1.01 0.87 -0.46 120.40 126.14 3g5m s VAL 5 Ca 0.06 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.13 3g5m s VAL 5 Cb -0.12 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 3g5m s VAL 5 CO 0.02 0.49 -0.09 -0.22 0.00 0.00 0.00 175.10 175.30 3g5m s LEU 6 N 0.05 2.88 -0.27 3.92 2.96 -0.39 -1.06 118.68 126.76 3g5m s LEU 6 Ca -0.07 -0.30 -0.07 0.00 -0.22 0.00 0.00 54.13 53.48 3g5m s LEU 6 Cb -0.14 -1.68 -0.01 0.00 0.50 0.00 0.00 46.19 44.86 3g5m s LEU 6 CO 0.04 0.12 0.07 -0.63 -1.32 0.00 0.00 176.35 174.63 3g5m s ILE 7 N 0.61 4.12 -0.37 6.68 1.01 0.44 -0.32 121.20 133.36 3g5m s ILE 7 Ca -0.05 -0.39 -0.14 0.00 0.00 0.00 0.00 60.65 60.06 3g5m s ILE 7 Cb -0.15 -3.00 -0.00 0.00 0.01 0.00 0.00 42.46 39.32 3g5m s ILE 7 CO 0.03 0.25 0.29 -0.69 0.00 0.00 0.00 174.94 174.81 3g5m s VAL 8 N 1.56 5.25 -0.10 2.92 1.01 0.29 -0.59 120.40 130.75 3g5m s VAL 8 Ca 0.05 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.69 3g5m s VAL 8 Cb -0.16 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 3g5m s VAL 8 CO 0.03 -0.15 -0.19 -0.47 0.00 0.00 0.00 175.10 174.31 3g5m s TYR 9 N 1.76 2.64 -0.52 5.22 5.04 -0.25 -1.49 117.35 129.75 3g5m s TYR 9 Ca 0.07 -0.73 0.05 0.00 -2.44 0.00 0.00 57.07 54.01 3g5m s TYR 9 Cb -0.18 -1.73 0.18 0.00 0.35 0.00 0.00 41.96 40.58 3g5m s TYR 9 CO 0.11 -0.23 0.43 0.00 -1.34 0.00 0.00 175.55 174.51 3g5m n ALA 10 N 3.27 3.08 -3.26 3.97 0.00 -0.41 -1.41 120.51 125.75 3g5m n ALA 10 Ca -0.18 -3.70 -0.13 0.00 0.00 0.00 0.00 53.44 49.43 3g5m n ALA 10 Cb 0.53 -0.86 -0.09 0.00 0.00 0.00 0.00 19.45 19.02 3g5m n ALA 10 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3g5m s HIS 11 N -0.67 -0.31 -0.34 0.00 5.04 -1.26 -4.36 115.29 113.38 3g5m s HIS 11 Ca 0.31 0.67 0.23 0.00 -1.54 0.00 0.00 55.06 54.72 3g5m s HIS 11 Cb 0.03 0.13 0.39 0.00 0.04 0.00 0.00 32.58 33.17 3g5m s HIS 11 CO -0.18 -0.30 1.62 1.96 -2.34 0.00 0.00 174.74 175.50 3g5m h GLN 12 N 4.68 0.00 -4.90 2.88 7.50 -2.00 -3.44 115.11 119.84 3g5m h GLN 12 Ca -0.28 0.00 -0.67 0.00 0.50 0.00 0.00 58.65 58.20 3g5m h GLN 12 Cb 1.18 0.00 -0.35 0.00 0.05 0.00 0.00 27.48 28.36 3g5m h GLN 12 CO 0.33 0.08 -0.78 -2.00 -1.50 0.00 0.00 178.83 174.97 3g5m s GLU 13 N -3.22 2.55 0.52 1.46 2.56 -1.26 -5.01 118.70 116.30 3g5m s GLU 13 Ca 0.06 -1.15 0.19 0.00 0.00 0.00 0.00 54.97 54.06 3g5m s GLU 13 Cb 0.06 -2.91 1.29 0.00 2.00 0.00 0.00 34.13 34.57 3g5m s GLU 13 CO 0.67 -0.47 2.09 -1.35 -0.56 0.00 0.00 175.26 175.63 3g5m h PRO 14 N 7.90 0.03 -0.02 4.30 0.11 -1.98 -0.83 132.00 141.51 3g5m h PRO 14 Ca -0.27 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3g5m h PRO 14 Cb 1.08 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3g5m h PRO 14 CO 0.53 0.02 0.00 1.63 -0.21 0.00 0.00 178.00 179.97 3g5m n LYS 15 N -4.48 1.10 -1.45 1.05 5.02 -1.26 -4.38 118.16 113.76 3g5m n LYS 15 Ca 0.02 -0.15 -0.29 0.00 -2.02 0.00 0.00 58.31 55.88 3g5m n LYS 15 Cb 0.28 -1.34 0.15 0.00 -0.02 0.00 0.00 35.03 34.10 3g5m n LYS 15 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3g5m s SER 16 N -1.66 3.22 0.20 4.39 1.04 -0.32 -4.82 113.70 115.74 3g5m s SER 16 Ca 0.32 0.98 -0.11 0.00 0.48 0.00 0.00 55.95 57.61 3g5m s SER 16 Cb 0.15 -1.55 0.16 0.00 0.10 0.00 0.00 66.02 64.88 3g5m s SER 16 CO 0.25 -2.74 1.83 0.15 0.98 0.00 0.00 173.24 173.71 3g5m h PHE 17 N -1.62 0.71 -0.82 5.02 3.57 -1.91 -0.32 116.94 121.57 3g5m h PHE 17 Ca -0.51 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.02 3g5m h PHE 17 Cb 1.33 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.80 3g5m h PHE 17 CO 0.19 0.40 0.54 -0.91 -2.23 0.00 0.00 178.31 176.30 3g5m h ASN 18 N 0.75 0.94 -0.47 0.41 2.35 -1.92 -1.71 115.58 115.93 3g5m h ASN 18 Ca 0.26 -0.02 0.06 0.00 -0.55 0.00 0.00 56.30 56.04 3g5m h ASN 18 Cb 0.04 -0.24 -0.05 0.00 0.05 0.00 0.00 38.32 38.12 3g5m h ASN 18 CO -0.11 0.68 0.17 1.23 -1.65 0.00 0.00 177.43 177.75 3g5m h GLY 19 N 1.11 0.63 0.97 2.83 0.00 -1.55 -0.15 103.07 106.91 3g5m h GLY 19 Ca 0.30 -0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.55 3g5m h GLY 19 CO -0.07 0.02 0.51 1.76 0.00 0.00 0.00 176.54 178.76 3g5m h SER 20 N 0.34 0.88 -0.61 0.19 0.02 -0.62 -0.47 113.55 113.28 3g5m h SER 20 Ca 0.23 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 61.07 3g5m h SER 20 Cb 0.23 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 3g5m h SER 20 CO -0.23 0.63 0.03 -0.07 -1.14 0.00 0.00 176.83 176.05 3g5m h LEU 21 N 1.03 1.03 -0.36 5.07 3.38 -0.78 0.23 115.31 124.91 3g5m h LEU 21 Ca 0.29 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3g5m h LEU 21 Cb -0.08 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.38 3g5m h LEU 21 CO -0.08 1.06 0.07 0.50 0.09 0.00 0.00 178.44 180.08 3g5m h LYS 22 N 0.98 0.59 -0.13 1.13 3.11 -0.77 -1.96 116.57 119.51 3g5m h LYS 22 Ca 0.18 -0.15 -0.16 0.00 -2.81 0.00 0.00 60.65 57.70 3g5m h LYS 22 Cb 0.51 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.66 3g5m h LYS 22 CO 0.02 0.65 -0.61 -0.91 -2.81 0.00 0.00 179.45 175.79 3g5m h ASN 23 N 0.44 0.51 0.21 4.20 2.35 -0.67 -0.60 115.58 122.02 3g5m h ASN 23 Ca 0.11 -0.29 -0.09 0.00 -0.55 0.00 0.00 56.30 55.48 3g5m h ASN 23 Cb 0.34 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 3g5m h ASN 23 CO 0.00 1.00 -0.34 -0.37 -1.65 0.00 0.00 177.43 176.07 3g5m h VAL 24 N 0.33 1.28 -0.10 2.81 -1.51 -0.93 0.67 116.25 118.80 3g5m h VAL 24 Ca -0.01 -1.33 -0.01 0.00 -1.23 0.00 0.00 66.70 64.13 3g5m h VAL 24 Cb 1.15 1.59 -0.00 0.00 -2.13 0.00 0.00 31.29 31.89 3g5m h VAL 24 CO 0.11 0.40 0.04 0.00 -1.23 0.00 0.00 177.57 176.89 3g5m h ALA 25 N 1.47 0.14 -0.58 5.19 0.00 -0.59 -0.56 119.26 124.32 3g5m h ALA 25 Ca 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3g5m h ALA 25 Cb 0.70 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3g5m h ALA 25 CO 0.05 -0.28 0.31 0.28 0.00 0.00 0.00 179.25 179.61 3g5m h VAL 26 N 0.02 1.19 0.15 0.00 2.07 -1.03 -0.30 116.25 118.36 3g5m h VAL 26 Ca 0.03 -0.50 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 3g5m h VAL 26 Cb 0.16 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 3g5m h VAL 26 CO -0.00 0.21 -0.10 0.44 0.02 0.00 0.00 177.57 178.14 3g5m h ASP 27 N 0.78 -0.26 -0.24 0.57 3.32 -0.76 0.65 116.42 120.49 3g5m h ASP 27 Ca 0.20 0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.14 3g5m h ASP 27 Cb 0.06 0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 3g5m h ASP 27 CO -0.03 -0.17 -0.36 -0.08 -1.72 0.00 0.00 179.24 176.88 3g5m h GLU 28 N -0.25 0.66 -0.28 3.56 4.57 -0.96 -0.21 114.58 121.67 3g5m h GLU 28 Ca -0.01 -0.40 -0.14 0.00 -1.18 0.00 0.00 59.36 57.63 3g5m h GLU 28 Cb 0.22 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 3g5m h GLU 28 CO 0.00 1.01 -0.40 -0.07 -1.18 0.00 0.00 179.01 178.38 3g5m h LEU 29 N 0.37 0.70 -0.40 1.64 3.38 -1.04 -1.62 115.31 118.33 3g5m h LEU 29 Ca 0.02 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 3g5m h LEU 29 Cb 0.95 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 3g5m h LEU 29 CO 0.08 1.02 0.24 -1.28 0.09 0.00 0.00 178.44 178.59 3g5m h SER 30 N 0.54 0.48 -0.94 -0.43 0.87 -0.82 -1.56 113.55 111.69 3g5m h SER 30 Ca 0.05 -0.05 0.11 0.00 -1.23 0.00 0.00 61.79 60.67 3g5m h SER 30 Cb 0.92 -0.12 -0.07 0.00 -0.44 0.00 0.00 62.40 62.69 3g5m h SER 30 CO 0.08 0.39 0.60 -0.09 -0.53 0.00 0.00 176.83 177.28 3g5m h ARG 31 N 0.53 0.89 0.00 2.24 2.43 -0.73 -0.07 114.38 119.66 3g5m h ARG 31 Ca 0.14 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3g5m h ARG 31 Cb -0.01 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.34 3g5m h ARG 31 CO -0.03 0.59 0.00 1.04 -1.51 0.00 0.00 179.97 180.06 3g5m n GLN 32 N -4.56 0.02 -0.27 0.20 6.02 -0.63 -4.87 117.38 113.29 3g5m n GLN 32 Ca 0.17 0.26 0.00 0.00 -0.01 0.00 0.00 57.00 57.42 3g5m n GLN 32 Cb 0.34 -1.54 0.00 0.00 1.02 0.00 0.00 30.24 30.06 3g5m n GLN 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3g5m n GLY 33 N 0.05 0.75 3.80 1.08 0.00 -0.04 -2.96 105.19 107.87 3g5m n GLY 33 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 3g5m n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g5m s THR 35 N -2.43 4.95 -0.05 0.00 2.01 -0.28 -4.48 115.64 115.36 3g5m s THR 35 Ca 0.64 1.65 0.02 0.00 0.31 0.00 0.00 61.69 64.31 3g5m s THR 35 Cb -0.16 -4.14 0.01 0.00 0.01 0.00 0.00 72.50 68.22 3g5m s THR 35 CO 0.36 0.16 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.66 3g5m s VAL 36 N 1.28 0.94 -0.01 3.82 1.01 -1.26 -0.09 120.40 126.08 3g5m s VAL 36 Ca 0.41 -0.38 0.06 0.00 0.00 0.00 0.00 61.98 62.08 3g5m s VAL 36 Cb -0.18 -0.87 -0.02 0.00 0.00 0.00 0.00 36.38 35.31 3g5m s VAL 36 CO 0.19 0.31 -0.20 -0.89 0.00 0.00 0.00 175.10 174.50 3g5m s THR 37 N 0.64 1.59 -0.06 3.92 2.01 -0.23 -4.99 115.64 118.52 3g5m s THR 37 Ca -0.12 -0.90 0.05 0.00 0.31 0.00 0.00 61.69 61.03 3g5m s THR 37 Cb -0.14 -1.33 -0.00 0.00 0.01 0.00 0.00 72.50 71.03 3g5m s THR 37 CO 0.02 0.42 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.48 3g5m s VAL 38 N -0.51 1.72 -0.49 3.82 1.01 -1.26 -0.42 120.40 124.27 3g5m s VAL 38 Ca 0.08 -0.86 -0.13 0.00 0.00 0.00 0.00 61.98 61.06 3g5m s VAL 38 Cb -0.08 -1.48 0.11 0.00 0.00 0.00 0.00 36.38 34.93 3g5m s VAL 38 CO -0.00 0.49 0.40 -0.44 0.00 0.00 0.00 175.10 175.55 3g5m s SER 39 N 0.11 5.97 -0.76 3.32 0.01 0.24 -4.97 113.70 117.62 3g5m s SER 39 Ca -0.08 -1.69 -0.19 0.00 1.31 0.00 0.00 55.95 55.29 3g5m s SER 39 Cb -0.14 -2.12 0.12 0.00 0.21 0.00 0.00 66.02 64.09 3g5m s SER 39 CO 0.04 -0.73 0.93 -0.62 0.41 0.00 0.00 173.24 173.27 3g5m s ASP 40 N 2.95 6.41 0.19 2.44 -1.08 -1.26 -1.09 116.67 125.23 3g5m s ASP 40 Ca 0.04 -1.69 -0.09 0.00 -0.52 0.00 0.00 52.55 50.28 3g5m s ASP 40 Cb -0.27 -2.36 0.11 0.00 -1.46 0.00 0.00 42.92 38.94 3g5m s ASP 40 CO 0.03 -1.12 1.71 -0.07 0.52 0.00 0.00 175.17 176.24 3g5m h LEU 41 N 10.23 1.04 -0.82 -1.34 3.38 -1.60 -0.63 115.31 125.56 3g5m h LEU 41 Ca -0.08 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.58 3g5m h LEU 41 Cb 1.05 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 3g5m h LEU 41 CO 1.09 1.00 -0.05 1.88 0.09 0.00 0.00 178.44 182.44 3g5m h TYR 42 N 1.04 0.90 -0.01 1.13 0.05 -1.84 -1.51 116.97 116.73 3g5m h TYR 42 Ca 0.22 -0.15 -0.11 0.00 0.05 0.00 0.00 58.73 58.74 3g5m h TYR 42 Cb 0.35 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.84 3g5m h TYR 42 CO 0.03 0.85 -0.54 0.00 -1.05 0.00 0.00 178.16 177.45 3g5m h ALA 43 N 1.18 1.10 0.00 3.88 0.00 -1.75 -1.02 119.26 122.65 3g5m h ALA 43 Ca 0.14 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3g5m h ALA 43 Cb 0.53 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3g5m h ALA 43 CO 0.03 0.67 0.00 -1.33 0.00 0.00 0.00 179.25 178.62 3g5m n MET 44 N -3.90 0.27 -4.11 0.00 2.81 -0.30 -4.91 117.12 106.98 3g5m n MET 44 Ca -0.01 0.05 -0.29 0.00 -1.81 0.00 0.00 57.70 55.63 3g5m n MET 44 Cb 0.55 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 31.51 3g5m n MET 44 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3g5m n ASN 45 N -1.35 -0.36 -4.71 7.83 5.15 -0.39 -4.85 115.26 116.58 3g5m n ASN 45 Ca 0.11 -1.09 -0.43 0.00 -0.60 0.00 0.00 54.58 52.57 3g5m n ASN 45 Cb 0.23 -2.57 -0.02 0.00 -0.53 0.00 0.00 39.78 36.89 3g5m n ASN 45 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 3g5m n PHE 46 N -4.44 2.61 -2.45 1.20 7.35 -0.61 -4.90 117.46 116.22 3g5m n PHE 46 Ca -0.26 0.25 -0.43 0.00 -0.76 0.00 0.00 57.45 56.25 3g5m n PHE 46 Cb 0.66 -2.58 -0.02 0.00 0.35 0.00 0.00 39.48 37.89 3g5m n PHE 46 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 3g5m s GLU 47 N 0.06 4.04 0.14 -4.13 2.56 -1.26 -4.92 118.70 115.19 3g5m s GLU 47 Ca 0.69 1.37 0.23 0.00 0.00 0.00 0.00 54.97 57.27 3g5m s GLU 47 Cb -0.55 -3.82 0.20 0.00 2.00 0.00 0.00 34.13 31.95 3g5m s GLU 47 CO 0.44 -0.95 1.20 -1.35 -0.56 0.00 0.00 175.26 174.04 3g5m h PRO 48 N 8.77 0.00 -6.50 4.30 0.11 -1.89 -3.43 132.00 133.36 3g5m h PRO 48 Ca -0.25 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.33 3g5m h PRO 48 Cb 1.09 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3g5m h PRO 48 CO 1.01 0.00 0.31 1.03 -0.21 0.00 0.00 178.00 180.14 3g5m s ARG 49 N -3.23 4.65 -0.64 1.05 0.52 -1.26 -4.38 118.95 115.65 3g5m s ARG 49 Ca 0.04 1.36 -0.24 0.00 -0.52 0.00 0.00 55.73 56.36 3g5m s ARG 49 Cb 0.12 -3.37 0.05 0.00 0.52 0.00 0.00 34.95 32.27 3g5m s ARG 49 CO 0.75 0.23 1.04 0.00 0.02 0.00 0.00 175.30 177.35 3g5m s ALA 50 N -0.02 3.04 0.33 2.13 0.00 -1.26 -4.99 121.76 120.99 3g5m s ALA 50 Ca 0.45 -1.50 0.04 0.00 0.00 0.00 0.00 51.96 50.95 3g5m s ALA 50 Cb -0.23 -3.92 -0.03 0.00 0.00 0.00 0.00 23.12 18.94 3g5m s ALA 50 CO 0.28 -2.77 0.17 0.95 0.00 0.00 0.00 175.76 174.40 3g5m s THR 51 N 4.45 0.32 -1.43 0.00 -4.23 -1.26 -5.02 115.64 108.47 3g5m s THR 51 Ca 0.29 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.01 3g5m s THR 51 Cb -0.13 -2.48 0.38 0.00 1.34 0.00 0.00 72.50 71.60 3g5m s THR 51 CO 0.15 0.00 1.69 -0.90 -0.54 0.00 0.00 174.62 175.02 3g5m n ASP 52 N -1.09 0.00 0.03 3.99 5.68 -1.26 -1.50 116.55 122.40 3g5m n ASP 52 Ca 0.01 -0.02 0.09 0.00 -0.50 0.00 0.00 54.79 54.37 3g5m n ASP 52 Cb 0.64 -0.28 0.40 0.00 -1.14 0.00 0.00 41.12 40.74 3g5m n ASP 52 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3g5m n LYS 53 N -1.28 0.04 0.00 0.11 4.76 -1.26 -2.79 118.16 117.74 3g5m n LYS 53 Ca 0.10 0.23 0.14 0.00 -2.87 0.00 0.00 58.31 55.92 3g5m n LYS 53 Cb 0.17 -1.57 0.61 0.00 -1.84 0.00 0.00 35.03 32.40 3g5m n LYS 53 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3g5m n ASP 54 N -1.65 0.16 -4.31 4.39 8.00 -0.56 -4.67 116.55 117.91 3g5m n ASP 54 Ca 0.04 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.22 3g5m n ASP 54 Cb 0.22 -0.26 -0.16 0.00 -0.02 0.00 0.00 41.12 40.91 3g5m n ASP 54 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3g5m s ILE 55 N -2.77 2.46 -0.92 0.53 1.09 -1.12 -1.16 121.20 119.31 3g5m s ILE 55 Ca 0.21 -0.89 0.14 0.00 -1.10 0.00 0.00 60.65 59.00 3g5m s ILE 55 Cb 0.19 -1.96 -0.09 0.00 -1.06 0.00 0.00 42.46 39.54 3g5m s ILE 55 CO 0.52 0.56 0.67 0.35 -0.10 0.00 0.00 174.94 176.94 3g5m n THR 56 N 3.22 0.00 -2.74 2.92 -2.24 0.61 -4.92 114.28 111.13 3g5m n THR 56 Ca -0.18 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 3g5m n THR 56 Cb 0.53 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.82 3g5m n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3g5m n GLY 57 N 1.24 3.30 3.71 3.38 0.00 -1.26 -5.04 105.19 110.51 3g5m n GLY 57 Ca 0.04 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 3g5m n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g5m s THR 58 N 1.13 2.47 0.58 2.61 2.01 -1.26 -4.98 115.64 118.19 3g5m s THR 58 Ca 0.00 0.20 -0.18 0.00 0.31 0.00 0.00 61.69 62.02 3g5m s THR 58 Cb 0.00 -3.13 -0.04 0.00 0.01 0.00 0.00 72.50 69.35 3g5m s THR 58 CO 0.00 0.01 1.12 -0.76 -0.69 0.00 0.00 174.62 174.30 3g5m s LEU 59 N 1.85 3.61 0.17 4.42 1.43 -1.26 -4.95 118.68 123.96 3g5m s LEU 59 Ca 0.75 2.09 -0.14 0.00 -1.03 0.00 0.00 54.13 55.81 3g5m s LEU 59 Cb -0.46 -4.57 0.09 0.00 0.03 0.00 0.00 46.19 41.29 3g5m s LEU 59 CO 0.33 -1.35 1.82 0.28 0.23 0.00 0.00 176.35 177.66 3g5m h SER 60 N 0.77 0.50 -2.72 2.29 0.02 -1.93 -3.37 113.55 109.10 3g5m h SER 60 Ca -0.49 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 59.87 3g5m h SER 60 Cb 1.25 -0.11 -0.39 0.00 0.14 0.00 0.00 62.40 63.30 3g5m h SER 60 CO 0.56 0.36 -0.85 0.21 -1.14 0.00 0.00 176.83 175.96 3g5m s ASN 61 N -5.59 2.66 0.31 3.07 3.84 -1.26 -4.98 114.94 112.99 3g5m s ASN 61 Ca -0.13 -2.77 0.24 0.00 0.21 0.00 0.00 52.86 50.42 3g5m s ASN 61 Cb 0.13 -0.65 1.10 0.00 -0.55 0.00 0.00 41.25 41.28 3g5m s ASN 61 CO 0.74 -0.23 1.74 1.55 -2.79 0.00 0.00 177.10 178.11 3g5m h PRO 62 N 6.27 0.00 -0.07 0.43 0.13 -1.98 -3.14 132.00 133.64 3g5m h PRO 62 Ca 0.14 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.07 3g5m h PRO 62 Cb 0.92 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.05 3g5m h PRO 62 CO 0.39 0.00 -0.77 1.49 -0.23 0.00 0.00 178.00 178.88 3g5m h GLU 63 N 0.00 0.42 -3.03 0.86 4.81 -1.96 -3.42 114.58 112.26 3g5m h GLU 63 Ca 0.00 -0.36 -0.42 0.00 -0.13 0.00 0.00 59.36 58.45 3g5m h GLU 63 Cb 0.27 0.08 -0.40 0.00 0.63 0.00 0.00 28.75 29.34 3g5m h GLU 63 CO 0.00 1.01 -0.73 0.08 -0.73 0.00 0.00 179.01 178.64 3g5m s VAL 64 N -3.56 -0.13 -0.20 0.32 1.01 -1.19 -5.12 120.40 111.54 3g5m s VAL 64 Ca -0.06 -0.02 -0.26 0.00 0.00 0.00 0.00 61.98 61.64 3g5m s VAL 64 Cb 0.10 -0.49 -0.01 0.00 0.00 0.00 0.00 36.38 35.98 3g5m s VAL 64 CO 0.85 -0.17 0.87 0.12 0.00 0.00 0.00 175.10 176.78 3g5m s PHE 65 N 2.18 3.38 -0.23 5.22 5.36 -1.26 -4.76 117.98 127.87 3g5m s PHE 65 Ca 0.03 1.27 0.02 0.00 -0.96 0.00 0.00 56.93 57.30 3g5m s PHE 65 Cb -0.15 -3.08 0.05 0.00 -0.34 0.00 0.00 43.02 39.51 3g5m s PHE 65 CO -0.08 -0.32 -0.11 1.21 -1.46 0.00 0.00 175.22 174.45 3g5m s ASN 66 N 1.22 3.99 0.18 6.13 3.84 -1.26 -5.04 114.94 124.00 3g5m s ASN 66 Ca 0.39 -1.17 -0.13 0.00 0.21 0.00 0.00 52.86 52.15 3g5m s ASN 66 Cb -0.16 -1.42 0.13 0.00 -0.55 0.00 0.00 41.25 39.25 3g5m s ASN 66 CO 0.10 -0.17 1.80 0.22 -2.79 0.00 0.00 177.10 176.27 3g5m h TYR 67 N 7.86 0.55 -0.24 0.43 3.20 -1.97 -0.58 116.97 126.23 3g5m h TYR 67 Ca -0.24 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.64 3g5m h TYR 67 Cb 1.07 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.16 3g5m h TYR 67 CO 0.57 0.30 0.10 0.78 -1.64 0.00 0.00 178.16 178.26 3g5m h GLY 68 N 0.58 0.38 0.98 1.82 0.00 -1.98 0.26 103.07 105.11 3g5m h GLY 68 Ca 0.22 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3g5m h GLY 68 CO -0.12 0.19 0.07 -2.08 0.00 0.00 0.00 176.54 174.60 3g5m h VAL 69 N 0.23 1.05 -0.49 4.60 2.07 -1.96 -0.76 116.25 120.98 3g5m h VAL 69 Ca 0.08 -0.11 -0.10 0.00 0.82 0.00 0.00 66.70 67.40 3g5m h VAL 69 Cb 0.17 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3g5m h VAL 69 CO -0.01 0.04 -0.07 -0.33 0.02 0.00 0.00 177.57 177.23 3g5m h GLU 70 N 0.14 0.92 -0.06 1.57 4.39 -1.03 -1.93 114.58 118.58 3g5m h GLU 70 Ca 0.04 -0.33 -0.13 0.00 0.34 0.00 0.00 59.36 59.29 3g5m h GLU 70 Cb 0.01 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 3g5m h GLU 70 CO -0.01 0.98 -0.54 1.79 -1.16 0.00 0.00 179.01 180.07 3g5m h THR 71 N 0.77 1.37 -0.12 1.13 1.35 -0.92 -0.32 112.91 116.17 3g5m h THR 71 Ca 0.13 -1.84 0.00 0.00 -0.55 0.00 0.00 66.41 64.15 3g5m h THR 71 Cb 0.61 1.93 -0.01 0.00 -1.73 0.00 0.00 68.15 68.95 3g5m h THR 71 CO 0.04 0.54 0.08 -0.74 -0.25 0.00 0.00 175.52 175.19 3g5m h HIS 72 N 0.13 0.16 -0.11 4.73 -0.00 -0.97 -0.25 115.15 118.85 3g5m h HIS 72 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 60.37 60.24 3g5m h HIS 72 Cb 1.00 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 28.34 3g5m h HIS 72 CO 0.01 0.13 -0.53 0.93 -0.00 0.00 0.00 177.93 178.47 3g5m h GLU 73 N 0.15 0.31 -0.45 5.26 4.39 -1.29 -2.28 114.58 120.66 3g5m h GLU 73 Ca 0.05 -0.19 -0.09 0.00 0.34 0.00 0.00 59.36 59.47 3g5m h GLU 73 Cb 0.01 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 3g5m h GLU 73 CO -0.01 0.76 -0.09 0.00 -1.16 0.00 0.00 179.01 178.51 3g5m h ALA 74 N 1.20 0.99 0.02 3.43 0.00 -0.97 -0.95 119.26 122.98 3g5m h ALA 74 Ca 0.01 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 3g5m h ALA 74 Cb 1.01 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3g5m h ALA 74 CO 0.09 0.61 -0.01 -0.92 0.00 0.00 0.00 179.25 179.01 3g5m h TYR 75 N 0.73 -0.03 -0.97 0.00 3.20 -0.83 0.23 116.97 119.31 3g5m h TYR 75 Ca 0.13 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.10 3g5m h TYR 75 Cb 0.58 0.01 -0.08 0.00 1.54 0.00 0.00 36.73 38.77 3g5m h TYR 75 CO 0.03 0.11 0.60 0.87 -1.64 0.00 0.00 178.16 178.13 3g5m h LYS 76 N -0.16 0.95 -0.00 1.82 1.57 -1.32 -2.93 116.57 116.51 3g5m h LYS 76 Ca -0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3g5m h LYS 76 Cb 0.15 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3g5m h LYS 76 CO 0.00 0.63 -0.20 1.04 -0.57 0.00 0.00 179.45 180.36 3g5m n GLN 77 N -4.63 0.21 -3.53 3.15 1.13 -0.37 -4.97 117.38 108.37 3g5m n GLN 77 Ca 0.17 -0.07 -0.19 0.00 -1.94 0.00 0.00 57.00 54.97 3g5m n GLN 77 Cb 0.32 -1.50 0.07 0.00 0.11 0.00 0.00 30.24 29.24 3g5m n GLN 77 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3g5m n ARG 78 N -1.33 -6.16 -0.78 -1.09 1.74 0.59 -4.96 116.66 104.67 3g5m n ARG 78 Ca 0.09 0.77 0.06 0.00 -0.77 0.00 0.00 57.85 58.00 3g5m n ARG 78 Cb 0.32 -5.66 0.16 0.00 -1.02 0.00 0.00 32.46 26.27 3g5m n ARG 78 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3g5m n SER 79 N -3.10 1.55 -4.82 0.55 3.41 0.02 -5.04 113.62 106.20 3g5m n SER 79 Ca -0.27 -3.42 -0.33 0.00 -0.26 0.00 0.00 58.87 54.59 3g5m n SER 79 Cb 0.66 -0.47 -0.04 0.00 -0.26 0.00 0.00 64.21 64.10 3g5m n SER 79 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3g5m s LEU 80 N -2.45 3.77 0.50 1.04 1.43 -1.24 -0.28 118.68 121.45 3g5m s LEU 80 Ca 0.36 1.73 -0.22 0.00 -1.03 0.00 0.00 54.13 54.97 3g5m s LEU 80 Cb 0.37 -4.53 -0.08 0.00 0.03 0.00 0.00 46.19 41.97 3g5m s LEU 80 CO -0.09 -0.63 1.07 0.00 0.23 0.00 0.00 176.35 176.93 3g5m n ALA 81 N -1.17 0.52 0.18 4.21 0.00 -0.31 -4.81 120.51 119.13 3g5m n ALA 81 Ca 0.08 0.14 0.04 0.00 0.00 0.00 0.00 53.44 53.69 3g5m n ALA 81 Cb 0.53 -2.15 0.34 0.00 0.00 0.00 0.00 19.45 18.17 3g5m n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3g5m h SER 82 N 1.23 0.00 -0.19 0.00 4.64 -1.95 -2.16 113.55 115.12 3g5m h SER 82 Ca -0.47 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.82 3g5m h SER 82 Cb 1.34 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.41 3g5m h SER 82 CO 0.55 0.41 0.05 -2.24 -0.87 0.00 0.00 176.83 174.73 3g5m h ASP 83 N 0.00 0.35 -0.07 4.97 2.03 -2.00 0.21 116.42 121.92 3g5m h ASP 83 Ca -0.00 -0.04 -0.05 0.00 -0.73 0.00 0.00 57.03 56.20 3g5m h ASP 83 Cb 0.83 -0.09 0.00 0.00 -0.83 0.00 0.00 39.33 39.24 3g5m h ASP 83 CO 0.05 0.38 -0.14 0.40 -1.03 0.00 0.00 179.24 178.90 3g5m h ILE 84 N 0.39 1.42 0.00 4.15 2.04 -1.77 -3.00 117.51 120.73 3g5m h ILE 84 Ca 0.09 -1.47 -0.05 0.00 1.00 0.00 0.00 64.86 64.44 3g5m h ILE 84 Cb 0.19 2.22 -0.01 0.00 -0.74 0.00 0.00 36.82 38.48 3g5m h ILE 84 CO -0.00 0.41 -0.22 0.71 0.00 0.00 0.00 178.15 179.05 3g5m h THR 85 N -0.28 0.46 -0.63 -0.27 1.35 -1.15 -1.43 112.91 110.96 3g5m h THR 85 Ca 0.00 -1.22 0.00 0.00 -0.55 0.00 0.00 66.41 64.64 3g5m h THR 85 Cb 0.73 1.88 -0.03 0.00 -1.73 0.00 0.00 68.15 69.01 3g5m h THR 85 CO 0.03 0.21 0.40 0.44 -0.25 0.00 0.00 175.52 176.36 3g5m h ASP 86 N 0.00 0.74 -0.54 5.36 3.32 -0.99 -1.91 116.42 122.41 3g5m h ASP 86 Ca -0.00 -0.04 -0.11 0.00 0.02 0.00 0.00 57.03 56.90 3g5m h ASP 86 Cb 0.86 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 3g5m h ASP 86 CO 0.03 0.55 -0.10 -0.33 -1.72 0.00 0.00 179.24 177.67 3g5m h GLU 87 N 0.86 1.01 -0.87 3.56 4.39 -1.16 -3.02 114.58 119.35 3g5m h GLU 87 Ca 0.23 -0.37 0.04 0.00 0.34 0.00 0.00 59.36 59.60 3g5m h GLU 87 Cb -0.07 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.46 3g5m h GLU 87 CO -0.05 1.06 0.57 1.96 -1.16 0.00 0.00 179.01 181.39 3g5m h GLN 88 N 0.89 1.02 -0.62 2.33 4.20 -1.01 -1.02 115.11 120.90 3g5m h GLN 88 Ca 0.14 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 3g5m h GLN 88 Cb 0.66 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 28.19 3g5m h GLN 88 CO 0.05 0.68 0.34 -0.22 -0.67 0.00 0.00 178.83 179.00 3g5m h LYS 89 N 1.05 0.86 -0.68 1.46 3.64 -1.27 0.17 116.57 121.80 3g5m h LYS 89 Ca 0.35 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.61 3g5m h LYS 89 Cb 0.08 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 3g5m h LYS 89 CO -0.11 0.65 0.33 0.87 -2.27 0.00 0.00 179.45 178.91 3g5m h LYS 90 N 0.84 0.98 -0.24 1.90 1.57 -1.20 -2.05 116.57 118.35 3g5m h LYS 90 Ca 0.22 -0.14 -0.08 0.00 -1.87 0.00 0.00 60.65 58.77 3g5m h LYS 90 Cb 0.04 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3g5m h LYS 90 CO -0.03 0.77 -0.16 0.28 -0.57 0.00 0.00 179.45 179.73 3g5m h VAL 91 N 0.94 1.31 -0.73 0.50 2.07 -0.88 -1.87 116.25 117.59 3g5m h VAL 91 Ca 0.23 -1.28 0.10 0.00 0.82 0.00 0.00 66.70 66.57 3g5m h VAL 91 Cb 0.12 1.63 -0.08 0.00 -1.52 0.00 0.00 31.29 31.44 3g5m h VAL 91 CO -0.03 0.40 0.36 -0.09 0.02 0.00 0.00 177.57 178.23 3g5m h ARG 92 N 0.24 0.57 0.00 1.57 2.43 -0.55 -2.10 114.38 116.55 3g5m h ARG 92 Ca 0.05 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3g5m h ARG 92 Cb 0.69 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 3g5m h ARG 92 CO 0.04 0.38 -0.19 0.93 -1.51 0.00 0.00 179.97 179.63 3g5m h GLU 93 N 0.59 0.00 -6.92 0.20 5.08 -1.31 -3.47 114.58 108.76 3g5m h GLU 93 Ca 0.37 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 58.21 3g5m h GLU 93 Cb 0.42 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.73 3g5m h GLU 93 CO -0.29 0.00 0.56 0.00 -1.00 0.00 0.00 179.01 178.27 3g5m s ALA 94 N -3.23 3.26 -0.08 3.43 0.00 -0.71 -4.70 121.76 119.73 3g5m s ALA 94 Ca 0.06 1.09 0.13 0.00 0.00 0.00 0.00 51.96 53.23 3g5m s ALA 94 Cb 0.06 -3.42 -0.23 0.00 0.00 0.00 0.00 23.12 19.52 3g5m s ALA 94 CO 0.69 -0.60 0.53 -0.25 0.00 0.00 0.00 175.76 176.12 3g5m n ASP 95 N 0.31 0.77 -3.95 0.00 8.00 0.39 -4.89 116.55 117.18 3g5m n ASP 95 Ca 0.03 0.32 -0.18 0.00 0.71 0.00 0.00 54.79 55.67 3g5m n ASP 95 Cb 0.45 0.10 -0.15 0.00 -0.02 0.00 0.00 41.12 41.50 3g5m n ASP 95 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3g5m s LEU 96 N -6.02 1.75 -0.19 0.64 2.96 -1.01 -0.99 118.68 115.82 3g5m s LEU 96 Ca -0.07 -0.13 0.01 0.00 -0.22 0.00 0.00 54.13 53.72 3g5m s LEU 96 Cb 0.08 -0.40 0.02 0.00 0.50 0.00 0.00 46.19 46.39 3g5m s LEU 96 CO 0.82 0.03 -0.18 -0.69 -1.32 0.00 0.00 176.35 175.01 3g5m s VAL 97 N 0.25 2.02 -0.15 1.68 1.01 -0.32 -1.26 120.40 123.63 3g5m s VAL 97 Ca -0.03 -0.99 -0.06 0.00 0.00 0.00 0.00 61.98 60.90 3g5m s VAL 97 Cb -0.07 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 3g5m s VAL 97 CO -0.00 0.47 0.08 -0.63 0.00 0.00 0.00 175.10 175.02 3g5m s ILE 98 N 1.29 4.96 -0.22 2.22 1.01 0.57 -1.19 121.20 129.84 3g5m s ILE 98 Ca 0.03 0.01 -0.05 0.00 0.00 0.00 0.00 60.65 60.65 3g5m s ILE 98 Cb -0.14 -3.19 -0.02 0.00 0.01 0.00 0.00 42.46 39.13 3g5m s ILE 98 CO -0.12 0.53 -0.00 -0.36 0.00 0.00 0.00 174.94 174.99 3g5m s PHE 99 N -0.27 3.01 -0.24 3.97 0.08 -0.39 -0.54 117.98 123.60 3g5m s PHE 99 Ca 0.09 -0.66 -0.02 0.00 0.12 0.00 0.00 56.93 56.46 3g5m s PHE 99 Cb -0.12 -2.13 0.02 0.00 -0.57 0.00 0.00 43.02 40.22 3g5m s PHE 99 CO 0.01 -0.40 -0.07 -1.14 -0.10 0.00 0.00 175.22 173.52 3g5m s GLN 100 N 1.34 2.95 -0.02 0.44 2.00 -0.56 -0.21 119.66 125.61 3g5m s GLN 100 Ca 0.04 -0.90 -0.30 0.00 -2.00 0.00 0.00 55.36 52.21 3g5m s GLN 100 Cb -0.15 -2.95 0.07 0.00 0.80 0.00 0.00 33.01 30.78 3g5m s GLN 100 CO 0.00 -0.35 0.67 -0.59 -0.50 0.00 0.00 175.29 174.52 3g5m s PHE 101 N 1.35 -0.64 0.22 1.67 -0.71 -0.85 -1.29 117.98 117.74 3g5m s PHE 101 Ca 0.02 1.00 -0.30 0.00 -1.04 0.00 0.00 56.93 56.61 3g5m s PHE 101 Cb -0.16 0.43 -0.08 0.00 -1.21 0.00 0.00 43.02 42.00 3g5m s PHE 101 CO -0.05 -0.65 1.07 -1.25 -1.34 0.00 0.00 175.22 173.00 3g5m s PRO 102 N -1.61 4.66 0.10 1.99 0.04 -1.26 -1.71 135.00 137.20 3g5m s PRO 102 Ca -0.09 1.70 -0.31 0.00 0.04 0.00 0.00 61.00 62.34 3g5m s PRO 102 Cb -0.00 -3.25 -0.10 0.00 0.04 0.00 0.00 34.50 31.19 3g5m s PRO 102 CO 0.06 0.20 1.83 -1.17 0.04 0.00 0.00 177.00 177.96 3g5m s LEU 103 N -0.86 4.40 -0.21 -3.56 2.96 0.34 -4.28 118.68 117.46 3g5m s LEU 103 Ca 0.46 2.69 0.02 0.00 -0.22 0.00 0.00 54.13 57.08 3g5m s LEU 103 Cb -0.29 -3.56 0.04 0.00 0.50 0.00 0.00 46.19 42.87 3g5m s LEU 103 CO 0.36 -1.00 -0.15 -0.31 -1.32 0.00 0.00 176.35 173.93 3g5m s TYR 104 N 3.08 2.83 -1.31 5.38 1.51 -0.28 -4.77 117.35 123.79 3g5m s TYR 104 Ca 0.81 -1.82 -0.04 0.00 -1.01 0.00 0.00 57.07 55.01 3g5m s TYR 104 Cb -0.44 -1.86 -0.00 0.00 -0.11 0.00 0.00 41.96 39.55 3g5m s TYR 104 CO 0.37 -0.81 0.59 0.91 -1.11 0.00 0.00 175.55 175.50 3g5m n TRP 105 N 4.58 -1.80 -1.62 2.71 5.03 -1.26 -1.64 117.44 123.43 3g5m n TRP 105 Ca -0.18 0.73 -0.17 0.00 3.03 0.00 0.00 57.50 60.91 3g5m n TRP 105 Cb 0.47 -3.93 -0.06 0.00 -1.03 0.00 0.00 31.31 26.76 3g5m n TRP 105 CO 0.00 0.00 0.00 1.19 -0.03 0.00 0.00 177.69 178.85 3g5m n PHE 106 N -4.29 -0.12 -2.93 -5.99 3.01 -1.26 -4.90 117.46 100.98 3g5m n PHE 106 Ca -0.26 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.20 3g5m n PHE 106 Cb 0.67 -3.03 0.00 0.00 -0.01 0.00 0.00 39.48 37.10 3g5m n PHE 106 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3g5m n SER 107 N -0.86 0.00 -4.86 4.37 2.88 -0.66 -4.85 113.62 109.65 3g5m n SER 107 Ca -0.18 -0.76 -0.31 0.00 -1.33 0.00 0.00 58.87 56.29 3g5m n SER 107 Cb 0.58 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.01 3g5m n SER 107 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3g5m s VAL 108 N -2.79 4.67 0.56 2.46 -7.23 -1.26 -1.13 120.40 115.68 3g5m s VAL 108 Ca 0.00 0.89 -0.21 0.00 -1.81 0.00 0.00 61.98 60.86 3g5m s VAL 108 Cb 0.00 -3.73 -0.05 0.00 0.56 0.00 0.00 36.38 33.17 3g5m s VAL 108 CO 0.00 -0.59 1.22 -2.65 -0.31 0.00 0.00 175.10 172.77 3g5m n PRO 109 N -1.42 1.38 -0.22 4.82 -0.02 -1.26 -4.56 135.00 133.72 3g5m n PRO 109 Ca 0.04 0.51 0.16 0.00 -2.02 0.00 0.00 63.50 62.20 3g5m n PRO 109 Cb 0.54 -2.42 0.48 0.00 -0.02 0.00 0.00 33.50 32.08 3g5m n PRO 109 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g5m h ALA 110 N 1.07 2.09 -0.72 3.55 0.00 -1.96 -0.20 119.26 123.09 3g5m h ALA 110 Ca -0.50 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 3g5m h ALA 110 Cb 1.33 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 3g5m h ALA 110 CO 0.55 -0.34 0.40 0.97 0.00 0.00 0.00 179.25 180.83 3g5m h ILE 111 N 0.47 1.21 -0.00 0.00 2.10 -1.94 0.12 117.51 119.46 3g5m h ILE 111 Ca 0.42 -0.52 -0.22 0.00 1.08 0.00 0.00 64.86 65.62 3g5m h ILE 111 Cb 0.95 0.23 0.00 0.00 -1.09 0.00 0.00 36.82 36.91 3g5m h ILE 111 CO -0.16 0.24 -0.93 0.25 -1.08 0.00 0.00 178.15 176.47 3g5m h LEU 112 N 1.00 0.51 -1.35 2.19 5.85 -1.55 -2.69 115.31 119.28 3g5m h LEU 112 Ca 0.26 -0.41 0.04 0.00 0.84 0.00 0.00 57.88 58.61 3g5m h LEU 112 Cb 0.01 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 3g5m h LEU 112 CO -0.04 1.20 0.47 0.50 -0.34 0.00 0.00 178.44 180.23 3g5m h LYS 113 N 0.22 0.80 -0.02 1.25 1.63 -0.70 -1.78 116.57 117.98 3g5m h LYS 113 Ca -0.07 -0.05 -0.16 0.00 -0.85 0.00 0.00 60.65 59.52 3g5m h LYS 113 Cb 1.56 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 32.99 3g5m h LYS 113 CO 0.16 0.53 -0.72 0.78 -3.45 0.00 0.00 179.45 176.75 3g5m h GLY 114 N 0.83 0.14 0.38 5.01 0.00 -0.60 -0.28 103.07 108.54 3g5m h GLY 114 Ca 0.29 -0.21 0.07 0.00 0.00 0.00 0.00 47.33 47.49 3g5m h GLY 114 CO -0.09 0.18 -0.01 -0.25 0.00 0.00 0.00 176.54 176.37 3g5m h TRP 115 N 0.08 -0.05 -0.02 5.60 7.01 -1.11 -0.57 115.95 126.89 3g5m h TRP 115 Ca -0.02 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.01 3g5m h TRP 115 Cb 1.27 0.08 -0.00 0.00 -2.10 0.00 0.00 29.16 28.41 3g5m h TRP 115 CO 0.01 -0.09 0.01 0.52 -2.79 0.00 0.00 178.44 176.11 3g5m h MET 116 N 0.09 0.02 -0.66 2.65 2.86 -0.82 0.15 114.93 119.22 3g5m h MET 116 Ca 0.18 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.79 3g5m h MET 116 Cb 0.26 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 3g5m h MET 116 CO -0.32 0.04 0.27 -0.44 1.06 0.00 0.00 176.91 177.52 3g5m h ASP 117 N -0.00 0.88 0.09 1.22 3.32 -0.90 -2.74 116.42 118.28 3g5m h ASP 117 Ca 0.01 -0.12 -0.37 0.00 0.02 0.00 0.00 57.03 56.57 3g5m h ASP 117 Cb 0.02 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 39.29 3g5m h ASP 117 CO -0.00 0.78 -2.26 0.54 -1.72 0.00 0.00 179.24 176.58 3g5m n ARG 118 N -4.31 0.68 0.12 3.56 1.74 -0.24 -4.51 116.66 113.70 3g5m n ARG 118 Ca 0.06 0.14 -0.24 0.00 -0.77 0.00 0.00 57.85 57.04 3g5m n ARG 118 Cb 0.17 -1.59 -0.15 0.00 -1.02 0.00 0.00 32.46 29.86 3g5m n ARG 118 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3g5m h VAL 119 N 0.01 1.16 -0.27 1.55 2.07 -0.76 -3.38 116.25 116.63 3g5m h VAL 119 Ca -0.50 -2.65 -0.64 0.00 0.82 0.00 0.00 66.70 63.73 3g5m h VAL 119 Cb 2.05 2.93 -0.02 0.00 -1.52 0.00 0.00 31.29 34.73 3g5m h VAL 119 CO 0.00 0.83 3.07 0.18 0.02 0.00 0.00 177.57 181.67 3g5m n LEU 120 N -3.65 8.24 -4.91 2.57 4.77 -1.03 -4.82 117.00 118.17 3g5m n LEU 120 Ca -0.19 -4.36 -0.28 0.00 -0.03 0.00 0.00 56.01 51.15 3g5m n LEU 120 Cb 1.09 -1.50 0.05 0.00 -2.33 0.00 0.00 43.42 40.73 3g5m n LEU 120 CO 0.57 2.03 0.65 0.00 -1.33 0.00 0.00 177.39 179.31 3g5m s GLN 122 N -5.21 4.26 0.00 0.00 0.74 -1.26 -1.37 119.66 116.82 3g5m s GLN 122 Ca 0.57 2.35 0.00 0.00 0.05 0.00 0.00 55.36 58.33 3g5m s GLN 122 Cb -0.11 -3.05 0.00 0.00 1.10 0.00 0.00 33.01 30.96 3g5m s GLN 122 CO 0.48 -0.34 0.00 0.41 -0.55 0.00 0.00 175.29 175.28 3g5m n GLY 123 N 1.01 2.98 0.28 2.59 0.00 0.41 -4.23 105.19 108.23 3g5m n GLY 123 Ca 0.02 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 3g5m n GLY 123 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3g5m n PHE 124 N 0.00 0.00 -0.05 1.61 7.35 -0.84 -4.81 117.46 120.72 3g5m n PHE 124 Ca 0.00 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.65 3g5m n PHE 124 Cb 0.00 -0.48 -0.15 0.00 0.35 0.00 0.00 39.48 39.20 3g5m n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3g5m n ALA 125 N -4.22 1.87 -3.33 3.13 0.00 -0.47 -4.63 120.51 112.86 3g5m n ALA 125 Ca -0.18 -0.99 -0.10 0.00 0.00 0.00 0.00 53.44 52.17 3g5m n ALA 125 Cb 0.50 -0.47 -0.03 0.00 0.00 0.00 0.00 19.45 19.44 3g5m n ALA 125 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3g5m s PHE 126 N -2.80 -0.22 0.25 0.00 -0.71 -1.25 -2.01 117.98 111.23 3g5m s PHE 126 Ca -0.08 -0.10 0.04 0.00 -1.04 0.00 0.00 56.93 55.75 3g5m s PHE 126 Cb 0.08 0.43 -0.05 0.00 -1.21 0.00 0.00 43.02 42.27 3g5m s PHE 126 CO 0.85 -0.90 -0.00 -0.51 -1.34 0.00 0.00 175.22 173.32 3g5m s ASP 127 N -2.84 1.99 -0.36 1.98 1.01 -0.36 -0.45 116.67 117.65 3g5m s ASP 127 Ca 0.07 -1.24 0.03 0.00 0.71 0.00 0.00 52.55 52.12 3g5m s ASP 127 Cb -0.01 -0.02 0.10 0.00 1.01 0.00 0.00 42.92 44.00 3g5m s ASP 127 CO -0.06 -0.50 0.09 -0.63 0.21 0.00 0.00 175.17 174.28 3g5m s ILE 128 N -3.36 2.50 0.76 0.77 -1.09 -1.26 -2.09 121.20 117.43 3g5m s ILE 128 Ca 0.30 -2.31 -0.10 0.00 -2.23 0.00 0.00 60.65 56.31 3g5m s ILE 128 Cb 0.06 -2.81 0.07 0.00 -1.58 0.00 0.00 42.46 38.19 3g5m s ILE 128 CO 0.10 -0.62 1.10 -2.16 -1.23 0.00 0.00 174.94 172.13 3g5m s PRO 129 N 0.92 2.12 0.00 2.79 0.04 -1.26 -5.13 135.00 134.48 3g5m s PRO 129 Ca 0.11 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.12 3g5m s PRO 129 Cb -0.20 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.29 3g5m s PRO 129 CO -0.07 -1.40 0.00 0.41 0.04 0.00 0.00 177.00 175.97 3g5m n GLY 130 N -3.13 0.30 3.40 0.56 0.00 -0.89 -5.09 105.19 100.34 3g5m n GLY 130 Ca 0.08 -0.63 -0.16 0.00 0.00 0.00 0.00 46.02 45.31 3g5m n GLY 130 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3g5m s PHE 131 N 0.00 1.26 0.00 1.61 -0.71 -1.23 -1.22 117.98 117.68 3g5m s PHE 131 Ca 0.00 -1.39 0.00 0.00 -1.04 0.00 0.00 56.93 54.50 3g5m s PHE 131 Cb 0.00 -0.33 0.00 0.00 -1.21 0.00 0.00 43.02 41.48 3g5m s PHE 131 CO 0.00 -0.98 0.00 0.66 -1.34 0.00 0.00 175.22 173.56 3g5m n TYR 132 N -0.54 0.00 0.36 3.49 4.01 0.75 -0.78 117.16 124.46 3g5m n TYR 132 Ca 0.03 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.86 3g5m n TYR 132 Cb 0.62 0.00 0.40 0.00 -0.31 0.00 0.00 39.34 40.06 3g5m n TYR 132 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3g5m n ASP 133 N 3.66 0.39 -1.33 7.72 8.00 -1.26 -0.55 116.55 133.18 3g5m n ASP 133 Ca 0.00 0.61 0.11 0.00 0.71 0.00 0.00 54.79 56.23 3g5m n ASP 133 Cb 0.00 -0.69 0.32 0.00 -0.02 0.00 0.00 41.12 40.73 3g5m n ASP 133 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3g5m n SER 134 N -1.95 3.96 -4.42 -2.24 7.64 0.04 -4.95 113.62 111.70 3g5m n SER 134 Ca 0.02 -2.03 -0.36 0.00 1.01 0.00 0.00 58.87 57.51 3g5m n SER 134 Cb 0.17 -0.48 0.06 0.00 -1.01 0.00 0.00 64.21 62.94 3g5m n SER 134 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3g5m n GLY 135 N 1.56 -1.86 0.07 0.23 0.00 0.28 -3.52 105.19 101.96 3g5m n GLY 135 Ca 0.24 -0.38 0.13 0.00 0.00 0.00 0.00 46.02 46.01 3g5m n GLY 135 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3g5m n LEU 136 N 0.20 0.51 -1.67 0.99 4.77 -0.85 -2.69 117.00 118.26 3g5m n LEU 136 Ca 0.09 0.56 0.04 0.00 -0.03 0.00 0.00 56.01 56.67 3g5m n LEU 136 Cb 0.50 -0.41 0.32 0.00 -2.33 0.00 0.00 43.42 41.49 3g5m n LEU 136 CO 0.51 -0.18 0.79 0.18 -1.33 0.00 0.00 177.39 177.35 3g5m n LEU 137 N -2.00 4.97 -4.59 2.23 4.77 0.63 -4.96 117.00 118.05 3g5m n LEU 137 Ca 0.05 -2.53 -0.41 0.00 -0.03 0.00 0.00 56.01 53.09 3g5m n LEU 137 Cb 0.36 -0.66 0.02 0.00 -2.33 0.00 0.00 43.42 40.81 3g5m n LEU 137 CO 0.27 0.59 0.51 0.00 -1.33 0.00 0.00 177.39 177.42 3g5m n GLN 138 N 0.42 1.17 0.00 3.23 10.64 -1.10 -2.37 117.38 129.38 3g5m n GLN 138 Ca 0.25 0.43 0.00 0.00 -1.83 0.00 0.00 57.00 55.84 3g5m n GLN 138 Cb 1.06 -1.99 0.00 0.00 -0.86 0.00 0.00 30.24 28.45 3g5m n GLN 138 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3g5m n GLY 139 N 1.28 2.77 3.89 2.61 0.00 -1.26 -5.01 105.19 109.48 3g5m n GLY 139 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 3g5m n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g5m s LYS 140 N -0.86 3.62 0.03 1.61 1.02 -1.00 -4.99 119.74 119.17 3g5m s LYS 140 Ca 0.00 -0.06 -0.00 0.00 0.02 0.00 0.00 55.97 55.92 3g5m s LYS 140 Cb 0.00 -2.95 -0.04 0.00 -0.52 0.00 0.00 37.83 34.32 3g5m s LYS 140 CO 0.00 0.54 0.16 -0.51 -0.92 0.00 0.00 175.35 174.62 3g5m s LEU 141 N -2.27 4.19 0.07 3.17 1.43 -0.16 -1.19 118.68 123.92 3g5m s LEU 141 Ca 0.36 0.23 0.03 0.00 -1.03 0.00 0.00 54.13 53.71 3g5m s LEU 141 Cb -0.13 -2.66 -0.03 0.00 0.03 0.00 0.00 46.19 43.40 3g5m s LEU 141 CO 0.21 0.22 -0.08 0.00 0.23 0.00 0.00 176.35 176.93 3g5m s ALA 142 N -1.38 0.84 -0.12 4.21 0.00 0.17 -1.18 121.76 124.31 3g5m s ALA 142 Ca 0.30 -1.04 -0.07 0.00 0.00 0.00 0.00 51.96 51.15 3g5m s ALA 142 Cb -0.13 0.06 0.05 0.00 0.00 0.00 0.00 23.12 23.11 3g5m s ALA 142 CO 0.22 -0.07 0.29 -1.17 0.00 0.00 0.00 175.76 175.03 3g5m s LEU 143 N -2.20 0.33 -0.24 0.00 0.20 -0.33 -0.61 118.68 115.84 3g5m s LEU 143 Ca 0.00 0.63 -0.15 0.00 0.69 0.00 0.00 54.13 55.29 3g5m s LEU 143 Cb -0.04 0.92 -0.04 0.00 -0.43 0.00 0.00 46.19 46.60 3g5m s LEU 143 CO -0.01 -0.17 0.39 -0.76 -0.29 0.00 0.00 176.35 175.52 3g5m s LEU 144 N 1.19 4.09 -0.31 -0.68 1.43 -1.26 -1.27 118.68 121.87 3g5m s LEU 144 Ca -0.08 0.40 -0.03 0.00 -1.03 0.00 0.00 54.13 53.39 3g5m s LEU 144 Cb -0.09 -2.48 0.05 0.00 0.03 0.00 0.00 46.19 43.70 3g5m s LEU 144 CO -0.09 -0.14 0.02 -0.55 0.23 0.00 0.00 176.35 175.82 3g5m s SER 145 N 1.36 4.97 -0.02 2.29 0.15 0.71 -0.35 113.70 122.81 3g5m s SER 145 Ca 0.17 -1.21 0.06 0.00 0.70 0.00 0.00 55.95 55.67 3g5m s SER 145 Cb -0.15 -1.75 -0.01 0.00 -1.71 0.00 0.00 66.02 62.39 3g5m s SER 145 CO 0.09 -0.27 -0.20 -0.69 1.20 0.00 0.00 173.24 173.37 3g5m s VAL 146 N 1.30 1.55 0.22 4.45 1.01 0.13 -2.00 120.40 127.05 3g5m s VAL 146 Ca -0.04 -0.83 0.09 0.00 0.00 0.00 0.00 61.98 61.20 3g5m s VAL 146 Cb -0.19 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 3g5m s VAL 146 CO -0.00 0.44 -0.07 0.42 0.00 0.00 0.00 175.10 175.89 3g5m s THR 147 N -0.41 3.24 0.12 3.92 -4.23 -0.70 -0.56 115.64 117.02 3g5m s THR 147 Ca 0.06 -1.81 0.04 0.00 -1.18 0.00 0.00 61.69 58.80 3g5m s THR 147 Cb -0.08 -2.66 -0.04 0.00 1.34 0.00 0.00 72.50 71.06 3g5m s THR 147 CO -0.00 -0.23 -0.10 0.42 -0.54 0.00 0.00 174.62 174.16 3g5m s THR 148 N -2.00 1.04 0.06 3.99 -4.23 -0.96 -0.51 115.64 113.03 3g5m s THR 148 Ca 0.28 -1.85 -0.18 0.00 -1.18 0.00 0.00 61.69 58.76 3g5m s THR 148 Cb -0.08 -1.60 -0.12 0.00 1.34 0.00 0.00 72.50 72.04 3g5m s THR 148 CO 0.17 -0.66 1.37 1.23 -0.54 0.00 0.00 174.62 176.19 3g5m h GLY 149 N 3.18 0.53 -3.38 3.99 0.00 -1.92 -2.03 103.07 103.44 3g5m h GLY 149 Ca -0.37 -0.54 -0.53 0.00 0.00 0.00 0.00 47.33 45.89 3g5m h GLY 149 CO 0.58 0.49 0.61 -0.32 0.00 0.00 0.00 176.54 177.90 3g5m s GLY 150 N -3.53 2.92 0.78 4.60 0.00 -1.26 -4.35 107.32 106.48 3g5m s GLY 150 Ca -0.13 1.22 -0.11 0.00 0.00 0.00 0.00 44.72 45.69 3g5m s GLY 150 CO 0.78 1.80 1.09 -0.51 0.00 0.00 0.00 173.10 176.26 3g5m s THR 151 N -1.27 3.23 0.21 0.90 -4.23 -1.26 -2.95 115.64 110.26 3g5m s THR 151 Ca 0.57 0.40 -0.09 0.00 -1.18 0.00 0.00 61.69 61.39 3g5m s THR 151 Cb -0.38 -3.12 0.14 0.00 1.34 0.00 0.00 72.50 70.49 3g5m s THR 151 CO 0.48 -0.52 1.79 0.00 -0.54 0.00 0.00 174.62 175.84 3g5m h ALA 152 N -1.05 0.87 -0.92 3.99 0.00 -1.94 -1.06 119.26 119.15 3g5m h ALA 152 Ca -0.46 0.03 0.13 0.00 0.00 0.00 0.00 54.91 54.61 3g5m h ALA 152 Cb 1.26 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.87 3g5m h ALA 152 CO 0.58 -0.01 0.54 1.49 0.00 0.00 0.00 179.25 181.85 3g5m h GLU 153 N 0.62 0.79 0.00 0.00 4.22 -2.00 0.07 114.58 118.28 3g5m h GLU 153 Ca 0.30 -0.05 -0.06 0.00 0.08 0.00 0.00 59.36 59.63 3g5m h GLU 153 Cb 0.23 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3g5m h GLU 153 CO -0.21 0.52 -0.29 0.52 -2.18 0.00 0.00 179.01 177.37 3g5m h MET 154 N 0.81 0.00 -2.00 1.92 2.86 -1.59 -3.14 114.93 113.79 3g5m h MET 154 Ca 0.48 0.00 -0.69 0.00 -2.06 0.00 0.00 59.70 57.43 3g5m h MET 154 Cb 0.57 0.00 -0.24 0.00 0.06 0.00 0.00 31.60 31.99 3g5m h MET 154 CO -0.31 0.29 0.88 0.66 1.06 0.00 0.00 176.91 179.49 3g5m n TYR 155 N -4.05 2.58 -4.57 -0.22 4.01 0.01 -1.55 117.16 113.37 3g5m n TYR 155 Ca -0.02 -2.21 -0.27 0.00 -0.16 0.00 0.00 57.90 55.24 3g5m n TYR 155 Cb 0.35 -1.25 -0.11 0.00 -0.31 0.00 0.00 39.34 38.03 3g5m n TYR 155 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3g5m s THR 156 N -4.27 2.01 0.27 -0.72 -4.23 -1.11 -2.38 115.64 105.21 3g5m s THR 156 Ca 0.54 -2.08 -0.02 0.00 -1.18 0.00 0.00 61.69 58.95 3g5m s THR 156 Cb 0.42 -2.84 0.27 0.00 1.34 0.00 0.00 72.50 71.70 3g5m s THR 156 CO -0.36 -0.09 1.88 0.50 -0.54 0.00 0.00 174.62 176.01 3g5m h LYS 157 N 1.91 1.12 -0.59 3.99 3.64 -1.91 -1.25 116.57 123.47 3g5m h LYS 157 Ca -0.43 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3g5m h LYS 157 Cb 1.24 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 3g5m h LYS 157 CO 0.76 0.74 0.00 0.25 -2.27 0.00 0.00 179.45 178.93 3g5m n THR 158 N -4.52 2.10 -2.54 1.00 -2.24 -1.26 -4.54 114.28 102.29 3g5m n THR 158 Ca 0.16 -1.30 -0.23 0.00 -2.27 0.00 0.00 64.05 60.41 3g5m n THR 158 Cb 0.21 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.51 3g5m n THR 158 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3g5m s GLY 159 N -0.96 1.78 0.25 3.38 0.00 -0.51 -5.01 107.32 106.26 3g5m s GLY 159 Ca 0.51 -1.38 -0.05 0.00 0.00 0.00 0.00 44.72 43.80 3g5m s GLY 159 CO 0.21 -0.98 1.91 -0.39 0.00 0.00 0.00 173.10 173.84 3g5m h VAL 160 N -0.25 1.25 -0.00 1.40 -1.51 -1.81 -2.58 116.25 112.75 3g5m h VAL 160 Ca -0.41 -0.53 0.00 0.00 -1.23 0.00 0.00 66.70 64.53 3g5m h VAL 160 Cb 1.29 -0.04 0.00 0.00 -2.13 0.00 0.00 31.29 30.41 3g5m h VAL 160 CO 0.50 0.26 -0.25 0.59 -1.23 0.00 0.00 177.57 177.43 3g5m n ASN 161 N -4.36 0.50 -0.18 4.19 3.02 -0.60 -5.07 115.26 112.76 3g5m n ASN 161 Ca 0.10 -0.32 0.02 0.00 -0.03 0.00 0.00 54.58 54.35 3g5m n ASN 161 Cb 0.06 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.22 3g5m n ASN 161 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3g5m n GLY 162 N 1.41 -1.86 3.74 7.41 0.00 -0.97 -4.88 105.19 110.03 3g5m n GLY 162 Ca 0.10 -1.46 -0.40 0.00 0.00 0.00 0.00 46.02 44.25 3g5m n GLY 162 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3g5m n ASP 163 N -2.40 3.00 -0.03 1.61 2.03 -0.98 -2.77 116.55 117.01 3g5m n ASP 163 Ca -0.00 1.11 0.07 0.00 0.52 0.00 0.00 54.79 56.49 3g5m n ASP 163 Cb 0.08 -1.56 0.45 0.00 -0.72 0.00 0.00 41.12 39.38 3g5m n ASP 163 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3g5m h SER 164 N 2.20 0.43 0.11 1.67 4.64 -1.80 -1.97 113.55 118.83 3g5m h SER 164 Ca -0.50 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.80 3g5m h SER 164 Cb 1.28 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3g5m h SER 164 CO 0.60 0.29 -0.10 0.03 -0.87 0.00 0.00 176.83 176.78 3g5m h ARG 165 N 0.50 0.00 -0.76 4.77 3.08 -1.89 -2.87 114.38 117.21 3g5m h ARG 165 Ca 0.20 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.29 3g5m h ARG 165 Cb 0.17 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.17 3g5m h ARG 165 CO -0.05 0.10 0.47 1.88 -1.07 0.00 0.00 179.97 181.31 3g5m h TYR 166 N 0.00 0.89 0.00 3.04 0.05 -1.49 -1.99 116.97 117.47 3g5m h TYR 166 Ca -0.00 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.80 3g5m h TYR 166 Cb 0.19 -0.29 0.00 0.00 1.01 0.00 0.00 36.73 37.64 3g5m h TYR 166 CO 0.00 0.49 0.00 1.97 -1.05 0.00 0.00 178.16 179.57 3g5m n PHE 167 N -4.64 0.26 0.30 4.88 1.16 -1.09 -3.37 117.46 114.97 3g5m n PHE 167 Ca 0.09 0.08 0.13 0.00 -1.87 0.00 0.00 57.45 55.89 3g5m n PHE 167 Cb 0.11 -0.63 0.34 0.00 -1.61 0.00 0.00 39.48 37.68 3g5m n PHE 167 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 3g5m h LEU 168 N 0.00 0.00 -0.17 5.98 3.38 -1.35 -3.39 115.31 119.76 3g5m h LEU 168 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 3g5m h LEU 168 Cb 0.50 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 3g5m h LEU 168 CO 0.00 0.00 -0.23 -0.25 0.09 0.00 0.00 178.44 178.05 3g5m h TRP 169 N 0.00 -0.60 0.00 1.13 2.91 -1.58 0.25 115.95 118.06 3g5m h TRP 169 Ca 0.00 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 60.00 3g5m h TRP 169 Cb 0.82 0.29 -0.01 0.00 -0.51 0.00 0.00 29.16 29.76 3g5m h TRP 169 CO 0.00 -0.31 -0.24 -1.35 -1.03 0.00 0.00 178.44 175.51 3g5m h PRO 170 N -0.27 0.00 0.00 2.65 0.11 -1.85 0.39 132.00 133.04 3g5m h PRO 170 Ca 0.11 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.14 3g5m h PRO 170 Cb 0.44 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 3g5m h PRO 170 CO -0.33 0.24 -0.58 -0.07 -0.21 0.00 0.00 178.00 177.06 3g5m h LEU 171 N 0.00 0.00 -0.08 2.35 3.38 -1.65 -2.01 115.31 117.30 3g5m h LEU 171 Ca -0.00 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 3g5m h LEU 171 Cb 0.49 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 3g5m h LEU 171 CO 0.03 1.04 -0.00 1.56 0.09 0.00 0.00 178.44 181.16 3g5m h GLN 172 N -1.00 0.13 0.00 1.13 4.20 -0.58 -1.47 115.11 117.53 3g5m h GLN 172 Ca -0.13 -0.04 -0.29 0.00 0.06 0.00 0.00 58.65 58.24 3g5m h GLN 172 Cb 0.84 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.56 3g5m h GLN 172 CO -0.08 0.41 -1.60 1.58 -0.67 0.00 0.00 178.83 178.47 3g5m n HIS 173 N -4.84 0.77 0.23 2.96 -0.00 -0.02 -0.57 115.22 113.76 3g5m n HIS 173 Ca -0.07 0.33 0.10 0.00 0.46 0.00 0.00 57.72 58.54 3g5m n HIS 173 Cb 0.20 -1.08 0.53 0.00 -0.12 0.00 0.00 29.99 29.52 3g5m n HIS 173 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 3g5m h GLY 174 N -0.95 0.00 0.00 1.57 0.00 -0.93 -2.01 103.07 100.75 3g5m h GLY 174 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3g5m h GLY 174 CO -0.26 0.00 -0.28 2.41 0.00 0.00 0.00 176.54 178.41 3g5m n THR 175 N -3.51 1.17 0.14 4.70 -1.04 -0.77 -4.43 114.28 110.52 3g5m n THR 175 Ca -0.01 0.30 -0.12 0.00 -2.04 0.00 0.00 64.05 62.19 3g5m n THR 175 Cb 0.37 -1.75 -0.07 0.00 -1.82 0.00 0.00 70.33 67.06 3g5m n THR 175 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3g5m h LEU 176 N -0.28 -0.34 -0.84 -4.42 3.38 -1.22 -2.03 115.31 109.57 3g5m h LEU 176 Ca 0.00 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 3g5m h LEU 176 Cb 0.28 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3g5m h LEU 176 CO 0.00 0.11 0.27 -0.74 0.09 0.00 0.00 178.44 178.17 3g5m h HIS 177 N -0.89 1.15 -0.89 1.13 2.76 -0.86 -1.66 115.15 115.90 3g5m h HIS 177 Ca -0.04 -0.10 0.12 0.00 -2.20 0.00 0.00 60.37 58.15 3g5m h HIS 177 Cb 0.52 -0.34 -0.08 0.00 1.55 0.00 0.00 27.41 29.05 3g5m h HIS 177 CO 0.04 0.89 0.51 0.35 -1.30 0.00 0.00 177.93 178.42 3g5m h PHE 178 N 1.09 0.92 0.00 5.26 3.57 -1.26 0.22 116.94 126.74 3g5m h PHE 178 Ca 0.25 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.78 3g5m h PHE 178 Cb 0.25 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.71 3g5m h PHE 178 CO 0.02 0.33 0.00 0.00 -2.23 0.00 0.00 178.31 176.43 3g5m n GLY 180 N 0.85 0.64 3.76 0.00 0.00 0.78 -0.27 105.19 110.96 3g5m n GLY 180 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 3g5m n GLY 180 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3g5m s PHE 181 N -2.34 2.44 -0.05 1.61 0.08 -0.68 -3.39 117.98 115.66 3g5m s PHE 181 Ca 0.00 1.51 -0.19 0.00 0.12 0.00 0.00 56.93 58.37 3g5m s PHE 181 Cb 0.00 -3.47 -0.05 0.00 -0.57 0.00 0.00 43.02 38.93 3g5m s PHE 181 CO 0.00 -2.13 0.54 0.15 -0.10 0.00 0.00 175.22 173.68 3g5m s LYS 182 N -3.27 4.30 -0.25 0.44 1.02 -0.33 -4.26 119.74 117.38 3g5m s LYS 182 Ca 0.76 0.61 -0.10 0.00 0.02 0.00 0.00 55.97 57.26 3g5m s LYS 182 Cb -0.30 -3.37 -0.05 0.00 -0.52 0.00 0.00 37.83 33.59 3g5m s LYS 182 CO 0.33 0.30 0.16 0.08 -0.92 0.00 0.00 175.35 175.30 3g5m s VAL 183 N 0.10 5.25 0.52 3.17 1.01 -1.26 -0.66 120.40 128.53 3g5m s VAL 183 Ca 0.29 0.14 -0.15 0.00 0.00 0.00 0.00 61.98 62.27 3g5m s VAL 183 Cb -0.17 -3.46 -0.07 0.00 0.00 0.00 0.00 36.38 32.68 3g5m s VAL 183 CO 0.14 0.31 0.97 -0.76 0.00 0.00 0.00 175.10 175.77 3g5m s LEU 184 N 1.33 3.57 0.41 3.92 1.43 0.22 -0.12 118.68 129.43 3g5m s LEU 184 Ca 0.07 1.49 -0.27 0.00 -1.03 0.00 0.00 54.13 54.39 3g5m s LEU 184 Cb -0.14 -4.44 -0.10 0.00 0.03 0.00 0.00 46.19 41.53 3g5m s LEU 184 CO 0.07 -0.62 1.39 0.00 0.23 0.00 0.00 176.35 177.42 3g5m n ALA 185 N -1.79 1.88 -1.77 4.21 0.00 -1.26 -4.63 120.51 117.15 3g5m n ALA 185 Ca 0.06 0.29 -0.37 0.00 0.00 0.00 0.00 53.44 53.43 3g5m n ALA 185 Cb 0.54 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.64 3g5m n ALA 185 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3g5m s PRO 186 N -2.21 3.50 -0.39 0.00 0.04 -1.26 -4.74 135.00 129.94 3g5m s PRO 186 Ca 0.58 1.79 -0.15 0.00 0.04 0.00 0.00 61.00 63.26 3g5m s PRO 186 Cb -0.49 -2.23 0.01 0.00 0.04 0.00 0.00 34.50 31.83 3g5m s PRO 186 CO 0.60 -0.77 0.35 -1.14 0.04 0.00 0.00 177.00 176.07 3g5m s GLN 187 N -2.94 3.21 -0.23 4.56 2.00 0.52 -5.01 119.66 121.77 3g5m s GLN 187 Ca 0.68 -0.76 -0.05 0.00 -2.00 0.00 0.00 55.36 53.23 3g5m s GLN 187 Cb -0.29 -3.91 -0.02 0.00 0.80 0.00 0.00 33.01 29.59 3g5m s GLN 187 CO 0.34 -0.69 0.01 0.42 -0.50 0.00 0.00 175.29 174.87 3g5m s ILE 188 N 1.90 3.86 -0.53 -2.34 1.01 -1.26 -0.69 121.20 123.14 3g5m s ILE 188 Ca 0.09 -0.33 -0.16 0.00 0.00 0.00 0.00 60.65 60.25 3g5m s ILE 188 Cb -0.18 -2.78 0.13 0.00 0.01 0.00 0.00 42.46 39.64 3g5m s ILE 188 CO 0.12 0.39 0.49 -0.44 0.00 0.00 0.00 174.94 175.50 3g5m s SER 189 N 1.43 6.18 0.03 3.58 0.01 0.27 -4.99 113.70 120.21 3g5m s SER 189 Ca 0.05 -1.76 -0.30 0.00 1.31 0.00 0.00 55.95 55.25 3g5m s SER 189 Cb -0.15 -2.20 -0.04 0.00 0.21 0.00 0.00 66.02 63.84 3g5m s SER 189 CO 0.01 -0.84 0.98 -0.36 0.41 0.00 0.00 173.24 173.44 3g5m s PHE 190 N 1.60 3.68 -1.37 2.43 0.08 -1.26 -2.26 117.98 120.88 3g5m s PHE 190 Ca 0.03 1.71 -0.04 0.00 0.12 0.00 0.00 56.93 58.75 3g5m s PHE 190 Cb -0.30 -3.12 0.02 0.00 -0.57 0.00 0.00 43.02 39.06 3g5m s PHE 190 CO 0.03 -0.01 0.78 0.00 -0.10 0.00 0.00 175.22 175.91 3g5m n ALA 191 N 3.66 -1.81 0.25 5.36 0.00 -0.76 -4.85 120.51 122.36 3g5m n ALA 191 Ca 0.05 -0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.53 3g5m n ALA 191 Cb 0.50 -2.66 0.67 0.00 0.00 0.00 0.00 19.45 17.96 3g5m n ALA 191 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3g5m h PRO 192 N -1.94 0.00 -0.34 0.00 0.13 -1.78 -1.24 132.00 126.83 3g5m h PRO 192 Ca -0.60 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.50 3g5m h PRO 192 Cb 1.36 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.48 3g5m h PRO 192 CO 0.59 0.12 0.09 0.93 -0.23 0.00 0.00 178.00 179.50 3g5m h GLU 193 N 0.00 0.49 0.04 0.86 5.08 -1.89 -3.10 114.58 116.05 3g5m h GLU 193 Ca -0.00 -0.07 -0.26 0.00 -1.00 0.00 0.00 59.36 58.03 3g5m h GLU 193 Cb 0.26 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 3g5m h GLU 193 CO 0.02 0.45 -1.30 0.82 -1.00 0.00 0.00 179.01 178.00 3g5m h ILE 194 N 0.48 1.38 -4.04 3.13 2.04 -1.64 -3.48 117.51 115.38 3g5m h ILE 194 Ca 0.12 -3.09 -0.55 0.00 1.00 0.00 0.00 64.86 62.33 3g5m h ILE 194 Cb 0.18 2.74 0.17 0.00 -0.74 0.00 0.00 36.82 39.17 3g5m h ILE 194 CO -0.00 0.82 0.35 0.00 0.00 0.00 0.00 178.15 179.31 3g5m n ALA 195 N -2.48 0.41 -1.62 1.87 0.00 -0.56 -5.00 120.51 113.13 3g5m n ALA 195 Ca -0.08 -0.15 -0.30 0.00 0.00 0.00 0.00 53.44 52.91 3g5m n ALA 195 Cb 1.00 -2.24 0.08 0.00 0.00 0.00 0.00 19.45 18.28 3g5m n ALA 195 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3g5m s SER 196 N -1.67 4.66 0.30 0.00 1.04 -1.26 -4.79 113.70 111.98 3g5m s SER 196 Ca 0.77 1.26 0.04 0.00 0.48 0.00 0.00 55.95 58.50 3g5m s SER 196 Cb -0.34 -2.00 0.64 0.00 0.10 0.00 0.00 66.02 64.41 3g5m s SER 196 CO 0.46 -1.86 1.83 -0.08 0.98 0.00 0.00 173.24 174.58 3g5m h GLU 197 N -1.01 0.87 -0.20 4.02 4.57 -1.96 0.75 114.58 121.63 3g5m h GLU 197 Ca -0.47 -0.05 -0.12 0.00 -1.18 0.00 0.00 59.36 57.55 3g5m h GLU 197 Cb 1.27 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.65 3g5m h GLU 197 CO 0.60 0.58 -0.37 0.93 -1.18 0.00 0.00 179.01 179.57 3g5m h GLU 198 N 0.90 0.43 -0.03 1.92 3.07 -1.99 -2.30 114.58 116.59 3g5m h GLU 198 Ca 0.50 -0.20 -0.25 0.00 -0.50 0.00 0.00 59.36 58.91 3g5m h GLU 198 Cb 0.60 -0.01 0.01 0.00 -0.84 0.00 0.00 28.75 28.52 3g5m h GLU 198 CO -0.27 0.74 -0.96 0.93 -1.40 0.00 0.00 179.01 178.05 3g5m h GLU 199 N 0.37 0.64 -0.65 2.33 5.08 -1.49 -1.40 114.58 119.46 3g5m h GLU 199 Ca 0.04 -0.65 0.05 0.00 -1.00 0.00 0.00 59.36 57.80 3g5m h GLU 199 Cb 0.82 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 30.19 3g5m h GLU 199 CO 0.07 1.25 0.37 0.00 -1.00 0.00 0.00 179.01 179.70 3g5m h ARG 200 N 0.38 0.69 -0.44 2.33 3.08 -0.87 -0.83 114.38 118.72 3g5m h ARG 200 Ca -0.10 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.82 3g5m h ARG 200 Cb 1.60 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 31.48 3g5m h ARG 200 CO 0.18 0.46 -0.07 0.87 -1.07 0.00 0.00 179.97 180.34 3g5m h LYS 201 N 0.71 0.77 -0.42 0.04 1.57 -1.34 -1.47 116.57 116.42 3g5m h LYS 201 Ca 0.28 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3g5m h LYS 201 Cb 0.12 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 3g5m h LYS 201 CO -0.15 0.83 0.27 0.78 -0.57 0.00 0.00 179.45 180.61 3g5m h GLY 202 N 0.97 0.60 1.26 3.86 0.00 -0.51 -1.53 103.07 107.71 3g5m h GLY 202 Ca 0.13 -0.23 -0.07 0.00 0.00 0.00 0.00 47.33 47.15 3g5m h GLY 202 CO 0.03 0.22 0.05 -0.33 0.00 0.00 0.00 176.54 176.52 3g5m h MET 203 N 0.57 0.91 -0.28 4.80 2.86 -0.53 0.68 114.93 123.93 3g5m h MET 203 Ca 0.15 -0.24 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 3g5m h MET 203 Cb -0.05 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.49 3g5m h MET 203 CO -0.03 0.87 0.09 0.28 1.06 0.00 0.00 176.91 179.18 3g5m h VAL 204 N 0.85 1.19 0.00 -2.22 2.07 -1.08 -2.76 116.25 114.31 3g5m h VAL 204 Ca 0.17 -0.62 -0.09 0.00 0.82 0.00 0.00 66.70 66.98 3g5m h VAL 204 Cb 0.43 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3g5m h VAL 204 CO 0.01 0.21 -0.41 0.00 0.02 0.00 0.00 177.57 177.40 3g5m h ALA 205 N 0.93 0.91 -0.62 1.67 0.00 -0.85 -1.77 119.26 119.54 3g5m h ALA 205 Ca 0.09 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 3g5m h ALA 205 Cb 0.23 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3g5m h ALA 205 CO -0.00 0.52 0.14 0.00 0.00 0.00 0.00 179.25 179.90 3g5m h ALA 206 N 1.59 1.08 -0.16 0.00 0.00 -0.77 0.30 119.26 121.29 3g5m h ALA 206 Ca -0.00 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 3g5m h ALA 206 Cb 1.02 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 3g5m h ALA 206 CO 0.05 0.61 -0.11 2.35 0.00 0.00 0.00 179.25 182.16 3g5m h TRP 207 N 0.93 0.42 -0.61 0.00 -0.00 -1.19 0.28 115.95 115.78 3g5m h TRP 207 Ca 0.20 -0.11 0.05 0.00 -0.00 0.00 0.00 58.89 59.02 3g5m h TRP 207 Cb 0.35 -0.09 -0.05 0.00 -0.00 0.00 0.00 29.16 29.37 3g5m h TRP 207 CO 0.02 0.70 0.34 1.03 -0.00 0.00 0.00 178.44 180.54 3g5m h SER 208 N 0.02 0.52 -0.34 2.65 0.87 -1.20 -0.63 113.55 115.45 3g5m h SER 208 Ca 0.03 0.02 -0.15 0.00 -1.23 0.00 0.00 61.79 60.46 3g5m h SER 208 Cb 0.60 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 3g5m h SER 208 CO 0.03 0.35 -0.37 -0.61 -0.53 0.00 0.00 176.83 175.70 3g5m h GLN 209 N 0.65 0.89 -0.66 2.24 4.15 -0.86 -2.67 115.11 118.85 3g5m h GLN 209 Ca 0.26 -0.46 -0.05 0.00 0.77 0.00 0.00 58.65 59.17 3g5m h GLN 209 Cb 0.12 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.80 3g5m h GLN 209 CO -0.15 1.10 0.20 -0.09 -1.93 0.00 0.00 178.83 177.96 3g5m h ARG 210 N 0.73 1.02 0.00 1.69 2.43 0.04 -2.65 114.38 117.64 3g5m h ARG 210 Ca 0.06 -0.21 -0.02 0.00 -0.81 0.00 0.00 59.98 59.00 3g5m h ARG 210 Cb 0.95 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.35 3g5m h ARG 210 CO 0.09 0.88 -0.10 -0.07 -1.51 0.00 0.00 179.97 179.25 3g5m h LEU 211 N 0.98 0.00 -1.73 3.80 3.38 -0.80 -2.32 115.31 118.61 3g5m h LEU 211 Ca 0.22 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.34 3g5m h LEU 211 Cb 0.29 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 3g5m h LEU 211 CO -0.01 0.10 0.47 1.56 0.09 0.00 0.00 178.44 180.65 3g5m h GLN 212 N 0.00 0.26 -0.00 1.13 4.20 -1.17 -2.79 115.11 116.74 3g5m h GLN 212 Ca -0.00 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 3g5m h GLN 212 Cb 0.30 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 3g5m h GLN 212 CO 0.01 0.17 -0.19 0.25 -0.67 0.00 0.00 178.83 178.41 3g5m n THR 213 N -4.44 2.02 0.12 -0.54 -2.24 -0.89 -4.80 114.28 103.51 3g5m n THR 213 Ca 0.13 -2.64 0.04 0.00 -2.27 0.00 0.00 64.05 59.30 3g5m n THR 213 Cb 0.56 -0.24 0.45 0.00 -2.10 0.00 0.00 70.33 69.00 3g5m n THR 213 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 3g5m h ILE 214 N 0.40 1.12 0.00 2.28 6.09 -1.30 -1.69 117.51 124.41 3g5m h ILE 214 Ca 0.00 -0.48 0.00 0.00 -1.37 0.00 0.00 64.86 63.02 3g5m h ILE 214 Cb 1.01 1.00 0.00 0.00 0.47 0.00 0.00 36.82 39.29 3g5m h ILE 214 CO 0.00 0.16 0.00 0.79 -3.07 0.00 0.00 178.15 176.03 3g5m n TRP 215 N -4.38 0.03 1.11 2.19 7.02 -1.26 -2.39 117.44 119.76 3g5m n TRP 215 Ca -0.00 0.01 0.12 0.00 -1.02 0.00 0.00 57.50 56.61 3g5m n TRP 215 Cb 0.18 -0.52 0.22 0.00 -2.42 0.00 0.00 31.31 28.78 3g5m n TRP 215 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 3g5m n LYS 216 N -1.52 0.58 -2.38 -0.99 5.02 -0.64 -4.98 118.16 113.25 3g5m n LYS 216 Ca 0.05 -0.39 -0.32 0.00 -2.02 0.00 0.00 58.31 55.63 3g5m n LYS 216 Cb 0.25 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.74 3g5m n LYS 216 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3g5m s GLU 217 N -2.69 3.88 0.22 1.97 2.02 -1.00 -5.06 118.70 118.03 3g5m s GLU 217 Ca 0.18 1.01 -0.02 0.00 0.02 0.00 0.00 54.97 56.16 3g5m s GLU 217 Cb 0.18 -2.12 -0.05 0.00 0.10 0.00 0.00 34.13 32.24 3g5m s GLU 217 CO 0.62 -0.33 0.43 -1.21 0.02 0.00 0.00 175.26 174.79 3g5m s GLU 218 N -4.01 3.55 0.86 1.61 0.41 -1.26 -5.10 118.70 114.77 3g5m s GLU 218 Ca 0.60 -0.24 -0.11 0.00 -0.41 0.00 0.00 54.97 54.80 3g5m s GLU 218 Cb -0.11 -2.79 0.11 0.00 -1.78 0.00 0.00 34.13 29.56 3g5m s GLU 218 CO 0.31 0.35 1.09 -1.25 -0.49 0.00 0.00 175.26 175.27 3g5m s PRO 219 N -3.37 1.54 0.74 0.39 0.04 -1.26 -4.68 135.00 128.40 3g5m s PRO 219 Ca 0.40 0.90 -0.11 0.00 0.04 0.00 0.00 61.00 62.23 3g5m s PRO 219 Cb -0.11 -1.83 0.04 0.00 0.04 0.00 0.00 34.50 32.63 3g5m s PRO 219 CO 0.29 -2.07 1.08 0.96 0.04 0.00 0.00 177.00 177.30 3g5m s ILE 220 N -2.93 3.60 -0.48 0.56 -4.36 0.82 -4.95 121.20 113.45 3g5m s ILE 220 Ca 0.63 0.52 -0.29 0.00 -0.26 0.00 0.00 60.65 61.25 3g5m s ILE 220 Cb -0.18 -3.22 0.02 0.00 1.25 0.00 0.00 42.46 40.33 3g5m s ILE 220 CO 0.57 -0.68 1.30 -2.16 0.24 0.00 0.00 174.94 174.21 3g5m s PRO 221 N -5.06 3.57 -1.36 0.37 0.04 -1.26 -4.74 135.00 126.55 3g5m s PRO 221 Ca 0.59 0.65 -0.15 0.00 0.04 0.00 0.00 61.00 62.14 3g5m s PRO 221 Cb -0.15 -4.00 0.08 0.00 0.04 0.00 0.00 34.50 30.47 3g5m s PRO 221 CO 0.55 -1.59 1.94 0.00 0.04 0.00 0.00 177.00 177.94 3g5m s THR 223 N 3.01 1.27 0.34 0.00 -4.23 -1.26 -4.94 115.64 109.82 3g5m s THR 223 Ca 0.48 -2.03 0.07 0.00 -1.18 0.00 0.00 61.69 59.03 3g5m s THR 223 Cb 0.08 -2.65 0.31 0.00 1.34 0.00 0.00 72.50 71.59 3g5m s THR 223 CO -0.01 -0.12 1.85 0.00 -0.54 0.00 0.00 174.62 175.81 3g5m h ALA 224 N 2.20 1.76 -0.41 3.99 0.00 -2.00 -2.41 119.26 122.39 3g5m h ALA 224 Ca -0.40 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 3g5m h ALA 224 Cb 1.24 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3g5m h ALA 224 CO 0.68 -0.01 -0.03 1.25 0.00 0.00 0.00 179.25 181.14 3g5m h HIS 225 N 0.76 0.82 -0.92 0.00 -0.00 -1.93 0.44 115.15 114.31 3g5m h HIS 225 Ca 0.47 -0.15 0.03 0.00 -0.00 0.00 0.00 60.37 60.71 3g5m h HIS 225 Cb 0.69 -0.21 -0.05 0.00 -0.00 0.00 0.00 27.41 27.84 3g5m h HIS 225 CO -0.00 0.83 0.60 2.35 -0.00 0.00 0.00 177.93 181.71 3g5m h TRP 226 N 0.57 1.13 0.09 5.26 7.01 -1.69 0.40 115.95 128.71 3g5m h TRP 226 Ca 0.11 0.03 -0.28 0.00 2.11 0.00 0.00 58.89 60.86 3g5m h TRP 226 Cb 0.52 -0.38 0.02 0.00 -2.10 0.00 0.00 29.16 27.23 3g5m h TRP 226 CO 0.04 0.66 -1.18 0.45 -2.79 0.00 0.00 178.44 175.62 3g5m h HIS 227 N 1.18 0.91 0.00 2.65 3.86 -1.09 -3.40 115.15 119.26 3g5m h HIS 227 Ca 0.36 -0.56 0.00 0.00 -1.16 0.00 0.00 60.37 59.01 3g5m h HIS 227 Cb -0.03 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.36 3g5m h HIS 227 CO -0.01 1.40 -0.62 1.19 0.86 0.00 0.00 177.93 180.76 3g5m n PHE 228 N -3.77 0.00 -4.21 2.45 3.72 0.11 -4.02 117.46 111.74 3g5m n PHE 228 Ca -0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 3g5m n PHE 228 Cb 0.96 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.50 3g5m n PHE 228 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3g5m n GLY 229 N 1.91 -0.47 3.29 1.37 0.00 0.14 -5.02 105.19 106.41 3g5m n GLY 229 Ca -0.00 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.93 3g5m n GLY 229 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14